Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Agrochemical Intermediates  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Organic Intermediates  /  Custom Manufacturing
T6909004 structure
T6909004 structure

T6909004

Iupac Name:6-nitro-1H-indole
CAS No.:4769-96-4
Molecular Weight:162.148
1. Names and Identifiers
1.1 Name
T6909004
1.2 Synonyms

2,2-dimethyl-n-{4-methyl-5-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]thiophen-2-yl}propanamide MCULE-6717705943 MOLPORT-009-259-785 Z316829360

1.3 CAS No.
4769-96-4
1.4 CID
78502
1.5 Molecular Formula
C17H18N2O3 (isomer)
1.6 Inchi
InChI=1S/C8H6N2O2/c11-10(12)7-2-1-6-3-4-9-8(6)5-7/h1-5,9H
1.7 InChkey
PSWCIARYGITEOY-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC(=CC2=C1C=CN2)[N+](=O)[O-]
1.9 Isomers Smiles
C1=CC(=CC2=C1C=CN2)[N+](=O)[O-]
2. Properties
3.1 Melting point
137-143℃
3.1 Refractive index
1.723
3.1 Precise Quality
162.04300
3.1 PSA
61.61000
3.1 logP
2.59930
3. Safety and Handling
4.1 Risk Statements
R68
4.1 Safety Statements
S36/37;S45
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

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.

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

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

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

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

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off 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.

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

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

Storage

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

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:162.148g/mol
  • Molecular Formula:C17H18N2O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:162.042927438
  • Monoisotopic Mass:162.042927438
  • Complexity:190
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:61.6
  • Heavy Atom Count:12
  • 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
6. Recommended Suppliers
Global129SuppliersView all >>
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
6-Nitroindole
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/04/28
Inquire
  • Products:bulk commodities, lab agents, intermediates & fragments, special chemicals, agro-chemicals, APIs, natural ingredients
  • Tel:86-25-83697070
  • Email:sales@chemlin.com.cn
6-Nitroindole
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2022/05/13
Inquire
  • Products:API, Pharmaceutical intermediates, photoelectronic Materials
  • Tel:86-21-60542966
6-Nitroindole
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/gram
  • Time: 2017/06/28
Inquire
  • Products:custom synthesis,Lab reagent,CRO,CMO,R&D research chemicals.such as CAS:4651-67-6;CAS:99-16-1;CAS:145100-50-1
  • Tel:86-27-87465837
6-Nitroindole
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2018/11/21
Inquire
  • Products:Pharmaceutical intermediates
  • Tel:86-573-85280080
6-Nitroindole
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2022/05/26
Inquire