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Home> Hot Product Listed V   > Valine,N-(chloroacetyl)glycyl- (9CI)
620-88-2 structure

Valine,N-(chloroacetyl)glycyl- (9CI)

Iupac Name:1-nitro-4-phenoxybenzene
CAS No.:620-88-2
Molecular Weight:215.20476
Molecular Formula:C23H31N3O2S (isomer)
Names and Identifiers
Synonyms

2-[[n-(chloroacetyl)glycyl]amino]-3-methylbutyric acid 2-[2-(2-chloroacetamido)acetamido]-3-methylbutanoic acid AM005086 DL-Valine,N-[N-(chloroacetyl)glycyl]- einecs 302-097-8 MCULE-8600518636 n-(chloroacetyl)glycylvaline n-(n-(chloroacetyl)glycyl)-dl-valine NSC 89564 nsc163125

Inchi
InChI=1/C12H9NO3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H
Canonical Smiles
C1=CC=C(C=C1)OC2=CC=C(C=C2)[N+](=O)[O-]
Properties
Melting Point
53-56℃
Boiling Point
740.3°C at 760 mmHg
Refractive Index
1.564
Safety and Handling
Safety Statements
S24/25
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

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.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:215.20476g/mol
  • Molecular Formula:C23H31N3O2S
  • XLogP3-AA:3.8
  • Exact Mass:215.058243
  • Monoisotopic Mass:215.058243
  • Complexity:225
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:55
  • Heavy Atom Count:16
  • 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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