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Home> Hot Product Listed I   > Indigo

Indigo

CAS No.:482-89-3
EINECS(EC#):207-586-9
Molecular Weight:262.27
Molecular Formula:C16H10N2O2 (Products with the same molecular formula)
MOL File:482-89-3.mol
Names and Identifiers
Synonyms

2-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one Indigo blue 2,2'-Bis(2,3-dihydro-3-oxoindolylidene) Vat Blue 1Indigo C.I. 73000

Inchi
InChI=1/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H/b14-13+
InChkey
COHYTHOBJLSHDF-BUHFOSPRSA-N
Canonical Smiles
C1=CC=C2C(=C1)C(=O)C(=C3C(=O)C4=CC=CC=C4N3)N2
Isomers Smiles
C1=CC=C2C(=C1)C(=O)/C(=C\3/C(=O)C4=CC=CC=C4N3)/N2
Properties
Appearance
Dark blue powder (or granule)
Density
1.417g/cm3
Melting Point
390-392℃ (dec.)
Boiling Point
400.4°Cat760mmHg
Vapour
1.27E-06mmHg at 25°C
Refractive Index
1.709
Flash Point
158.2°C
Water
<0.1 g/100 mL
Solubilities
Water solubility:
Color/Form
DARK-BLUE POWDER WITH COPPERY LUSTER
Stability
Stable. Incompatible with strong oxidizing agents.
Storage temp
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances.
Spectral properties
IR: 1620 (Coblentz Society Spectral Collection)
UV: 3-558 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York)
Safety and Handling
Hazard Codes
Xi
Risk Statements
R36/37/38
Safety Statements
S26;S36
Safety
Hazard Codes:Xi
Risk Statements:36/38-36/37/38
36/38:Irritating to eyes and skin
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:26-36
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
RIDADR:UN 3264 8/PG 3
WGK Germany:1
Hazardous Substances Data:482-89-3(Hazardous Substances Data)
PackingGroup
I
Cleanup Methods
INDIGO IS RECOVERED FROM WASTEWATER CONTAINING 0.1 KG/CU M BY FLOCCULATION WITH 0.03 KG/CU M CACL2-MGCL2 & 2.3 KG/CU M NAOH.
WASTEWATER FROM INDIGO DYEING IS FILTERED AT 62 L/MIN ON STAINLESS STEEL SCREEN (128 MESH/CM) & CONCN 100-FOLD BY REVERSE OSMOSIS AT 4.75 M/SEC & 65 DEG/69 BAR THROUGH POROUS STAINLESS STEEL TUBES TO GIVE 4600 L/SQ M/DAY EFFLUENT.
Transport
50kgs
Formulations/Preparations
GRADES: TECHNICAL; PURE
Exposure Standards and Regulations
D & C BLUE NO 6 (INDIGO) MAY BE USED UNDER FEDERAL FOOD, DRUG, & COSMETIC ACT IN COLORING POLY(ETHYLENE TEREPHTHALATE) NONABSORBABLE SUTURES FOR USE IN GENERAL & OPHTHALMIC SURGERY. SPECIFICATIONS FOR CERTIFICATION ARE GIVEN.
Specification

The Indigo with the cas number 482-89-3, is also called (2E)-2-(3-oxo-1H-indol-2-ylidene)-1H-indol-3-one named by IUPAC. And it's systemic name are(1)(delta(sup 2,2')-Biindoline)-3,3'-dione; (2)(delta2,2'-Biindoline)-3,3'-dione (8CI) ; (3)2-(1,3-Dihydro-3-oxo-2H-indazol-2-ylidene)-1,2-dihydro-3H-indol-3-one ; (4)2-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one ; (5)3H-Indol-3-one, 2-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-. It belongs to rganics product categories. Besides, it seems like dark blue powder with coppery luster. Indigo occurs in isomeric forms (cis and trans). It is Stable but incompatible with strong oxidizing agents. Water solubility is lower than other edible pigment around 25 ° c. 0.05% solution appears blue. It is soluble in glycerin, propylene glycol, slightly soluble in ethanol, insoluble in grease. It shows darkblue when encounter sulfuric acid, and appear to be blue when diluted. with sodium hydroxide in solution, it turns green and yellow green. And it is sensitive to heat and light. Indigo? is used as a dye for cotton yarn, which is mainly for the production of denim cloth for blue jeans. Small amounts are used for dying wool and silk.

Physical properties about this chemical are: (1)ACD/LogP: 3.72 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 3.72 ; (4)ACD/LogD (pH 7.4): 3.72 ; (5)ACD/BCF (pH 5.5): 395.55 ; (6)ACD/BCF (pH 7.4): 395.55 ; (7)ACD/KOC (pH 5.5): 2515.82 ; (8)ACD/KOC (pH 7.4): 2515.82 ; (9)#H bond acceptors: 4 ; (10)#H bond donors: 2 ; (11)#Freely Rotating Bonds: 0 ; (12)Polar Surface Area: 40.62?2 ; (13)Index of Refraction: 1.709 ; (14)Molar Refractivity: 72.22 cm3 ; (15)Molar Volume: 185 cm3 ; (16)Polarizability: 28.63 ×10-24cm3 ; (17)Surface Tension: 63.4 dyne/cm ; (18)Density: 1.417 g/cm3 ; (19)Flash Point: 158.2 °C ; (20)Enthalpy of Vaporization: 65.13 kJ/mol ; (21)Boiling Point: 400.4 °C at 760 mmHg ; (22)Vapour Pressure: 1.27E-06 mmHg at 25°C

Prepration of Indigo: Indigo powder sulfonation by sulfuric acid, diluted by water, neutralization with sodium carbonate, refined by salting-out. Indigo powder (100%) 210kg can be produced at the cost of every tons product. It is an synthesis edible pigment and applied to food, medicine and cosmetics.

1. N-phenylglycine is treated with a molten mixture of sodium hydroxide, potassium hydroxide, and sodamide. This highly sensitive melt produces indoxyl, which is subsequently oxidised in air to form indigo.

2. An alternative and also viable route to indigo involves heating N-(2-carboxyphenyl)glycine to 200 °C in an inert atmosphere with sodium hydroxide. Indoxyl-2-carboxylic acid is generated. This material readily decarboxylates to give indoxyl, which oxidises in air to form indigo.


When you are using this chemical, please be cautious about it as the following: It is quite irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?Before you are using it, please wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?

You can still convert the following datas into molecular structure :
(1).SMILES: O=C/4c1ccccc1NC\4=C3\C(=O)c2ccccc2N3
(2).InChI:InChI=1/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H/b14-13+

Toxic information of Indigo can be showed as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2200mg/kg (2200mg/kg) ? "Zhongliu Yanjiu" Cancer Review, Yu, R., et al., eds., Shanghai Science/Technology Publisher,Peop. Rep. China, 1994Vol. -, Pg. 173, 1994.
mouse LD50 oral > 32gm/kg (32000mg/kg) ? "Zhongliu Yanjiu" Cancer Review, Yu, R., et al., eds., Shanghai Science/Technology Publisher,Peop. Rep. China, 1994Vol. -, Pg. 173, 1994

Report

Reported in EPA TSCA Inventory.

Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 1000_10000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
DyStar Colours Distribution GmbH 2010
DyStar Colours Distribution GmbH 2014
Intertek Deutschland GmbH CJTC 2011
more >
MSDS

Download/Modify | Technical supported by XiXisys.com. For US version, EU version (23 languages) and more, please refer to xixisys.com/en/sds/search

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name Indigo

1.2 Other means of identification

Product number -
Other names Indigo J

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Dyes
Uses advised against no data available

1.4 Supplier's details

Company WWW.GuideChem.COM
Address 8F, Block C, No.3 Building, Zijin Plaza, No.701, Gudun Road, Hangzhou, Zhejiang 310030, China
Telephone +86-571-89739798
Fax 86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-571-89739798
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Specific target organ toxicity \u2013 repeated exposure, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H373 May cause damage to organs through prolonged or repeated exposure

Precautionary statement(s)
Prevention

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

Response

P314 Get medical advice/attention if you feel unwell.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
Indigo Indigo 482-89-3 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

In case of skin contact

Wash off with soap and plenty of water. Consult a physician.

In case of eye contact

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

If swallowed

Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

4.2 Most important symptoms/effects, acute and delayed

ACUTE/CHRONIC HAZARDS: This compound may cause irritation of the skin and mucous membranes.

4.3 Indication of immediate medical attention and special treatment needed, if necessary

Absorption, Distribution and Excretion

WAS OBSERVED IN 24-HR URINE SAMPLES COLLECTED AT 14-DAY INTERVALS FROM 6 SHEEP GRAZING PASTURE OF OESTROGENIC CLOVER FROM JULY TO LATE OCTOBER. GENERALLY IT OCCURRED IN ONLY 1 URINE SAMPLE AT EACH COLLECTION BUT FROM MID-AUGUST TO MID-SEPTEMBER IT WAS PRESENT IN 3 OR 4 SAMPLES.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Fires involving this compound should be controlled using a dry chemical, carbon dioxide, foam or Halon extinguisher.

5.2 Specific hazards arising from the chemical

Flash point data for this compound are not available but it is probably combustible.

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

6.3 Methods and materials for containment and cleaning up

INDIGO IS RECOVERED FROM WASTEWATER CONTAINING 0.1 KG/CU M BY FLOCCULATION WITH 0.03 KG/CU M CACL2-MGCL2 & 2.3 KG/CU M NAOH.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state Dark blue powder (or granule)
Colour DARK-BLUE POWDER WITH COPPERY LUSTER
Odour no data available
Melting point/ freezing point 197\u00b0C(lit.)
Boiling point or initial boiling point and boiling range 160\u00b0C/19mmHg(lit.)
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 140\u00b0C(lit.)
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility less than 1 mg/mL
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure 1.27E-06mmHg at 25\u00b0C
Density and/or relative density 1.417g/cm3
Relative vapour density no data available
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

no data available

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

no data available

11.Toxicological information

Acute toxicity

  • Oral: no data available
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

no data available

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: no data available
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

no data available

12.3 Bioaccumulative potential

no data available

12.4 Mobility in soil

no data available

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN2924 IMDG: UN2924 IATA: UN2924

14.2 UN Proper Shipping Name

ADR/RID: FLAMMABLE LIQUID, CORROSIVE, N.O.S.
IMDG: FLAMMABLE LIQUID, CORROSIVE, N.O.S.
IATA: FLAMMABLE LIQUID, CORROSIVE, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 3 IMDG: 3 IATA: 3

14.4 Packing group, if applicable

ADR/RID: II IMDG: II IATA: II

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
Indigo Indigo 482-89-3 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Not Listed.
New Zealand Inventory of Chemicals (NZIoC) Not Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 11, 2017
Revision Date Aug 11, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.

Precursor and Product
Computational chemical data

Molecular Weight:262.2628 [g/mol]
Molecular Formula:C16H10N2O2
XLogP3:3.7
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:0
Tautomer Count:32
Exact Mass:262.074228
MonoIsotopic Mass:262.074228
Topological Polar Surface Area:58.2
Heavy Atom Count:20
Formal Charge:0
Complexity:453
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:1
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:2
Feature 3D Cation Count:2
Feature 3D Ring Count:4
Effective Rotor Count:0.4
Conformer Sampling RMSD:0.6
CID Conformer Count:1

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