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Home> Hot Product Listed 1   > 1Y-0733
108-45-2 structure

1Y-0733

Iupac Name:benzene-1,3-diamine
CAS No.:108-45-2
Molecular Weight:108.14112
Molecular Formula:C15H7CL2F6N3 (isomer)
Names and Identifiers
Synonyms

AJ-46824 AK-68944 AKOS005070068 methoxyphenylnicotinaldehyde mfcd06659546 RP12381 ZINC3883632

Inchi
InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2
InChkey
WZCQRUWWHSTZEM-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC(=C1)N)N
Properties
Melting Point
63-65℃
Vapour
0.00321mmHg at 25°C
Refractive Index
1.6339
HS Code
29215119
Safety and Handling
Risk Statements
R23/24/25;R36;R40;R43;R50/53
Safety Statements
S28;S36/37;S45;S60;S61
HazardClass
6.1
PackingGroup
III
Transport
UN 1673
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 >
INTERMEDIATE INDIVIDUAL INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
CHEMICAL INSPECTION & REGULATION SERVICE LIMITED 2017
Du Pont (U.K.) Industrial Ltd 2014
SABIC Innovative Plastics BV 2016
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Acute toxicity - Dermal, Category 3

Eye irritation, Category 2

Skin sensitization, Category 1

Acute toxicity - Inhalation, Category 3

Germ cell mutagenicity, Category 2

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H311 Toxic in contact with skin

H319 Causes serious eye irritation

H317 May cause an allergic skin reaction

H331 Toxic if inhaled

H341 Suspected of causing genetic defects

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P271 Use only outdoors or in a well-ventilated area.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P273 Avoid release to the environment.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P311 Call a POISON CENTER/doctor/\u2026

P308+P313 IF exposed or concerned: Get medical advice/ attention.

P391 Collect spillage.

Storage

P405 Store locked up.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:108.14112g/mol
  • Molecular Formula:C15H7CL2F6N3
  • XLogP3-AA:_0.3
  • Exact Mass:108.068748
  • Monoisotopic Mass:108.068748
  • Complexity:64.9
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:52
  • Heavy Atom Count:8
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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