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Home> Encyclopedia >   /  Halide ( Except Chloride )  /  Pharmaceutical Intermediates  /  Laboratory Chemicals  /  Inorganic Chemicals  /  Organic Intermediate
Benzamide,N-[[4'-[[3-butyl-1-[2-chloro-5-[(1-oxopentyl)amino]phenyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]methyl][1,1'-biphenyl]-2-yl]sulfonyl]-2-chloro- structure
Benzamide,N-[[4'-[[3-butyl-1-[2-chloro-5-[(1-oxopentyl)amino]phenyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]methyl][1,1'-biphenyl]-2-yl]sulfonyl]-2-chloro- structure

Benzamide,N-[[4'-[[3-butyl-1-[2-chloro-5-[(1-oxopentyl)amino]phenyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]methyl][1,1'-biphenyl]-2-yl]sulfonyl]-2-chloro-

Iupac Name:potassium;bromide
CAS No.:7758-02-3
Molecular Weight:119
1. Names and Identifiers
1.1 Name
Benzamide,N-[[4'-[[3-butyl-1-[2-chloro-5-[(1-oxopentyl)amino]phenyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]methyl][1,1'-biphenyl]-2-yl]sulfonyl]-2-chloro-
1.2 CAS No.
7758-02-3
1.3 CID
253877
1.4 Molecular Formula
C24H34N2O2 (isomer)
1.5 Inchi
InChI=1S/BrH.K/h1H;/q;+1/p-1
1.6 InChkey
IOLCXVTUBQKXJR-UHFFFAOYSA-M
1.7 Canonical Smiles
[K+].[Br-]
1.8 Isomers Smiles
[K+].[Br-]
2. Properties
3.1 Melting point
734 °C(lit.)
3.1 Boiling point
440.7°C at 760 mmHg
3.1 Refractive index
1.559
3.1 Vapour pressure
175 mm Hg ( 20 °C)
3.1 Precise Quality
117.88200
3.1 PSA
0.00000
3.1 logP
-2.99600
3. Safety and Handling
4.1 Symbol
GHS07
4.1 Signal Word
Warning
4.1 Risk Statements
36/37/38-36
4.1 Safety Statements
26-45-61-7/9-39-36
4.1 Packing Group
Z01
4.1 Hazard Declaration
H319
4.1 RIDADR
UN 1744 8/PG 1
4.1 Caution Statement
P280-P305 + P351 + P338-P337 + P313
4.1 WGK Germany
2
4.1 RTECS
TS7650000
4. 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

5. Computational chemical data
  • Molecular Weight:119g/mol
  • Molecular Formula:C24H34N2O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:117.88204
  • Monoisotopic Mass:117.88204
  • Complexity:2
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:0
  • Heavy Atom Count:2
  • 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:2
6. Question & Answer
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