Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Others
STOCK3S-75830 structure
STOCK3S-75830 structure

STOCK3S-75830

Iupac Name:1-benzyl-3-phenylurea
CAS No.: 1467-21-6
Molecular Weight:226.279
Modify Date.: 2021-08-10 19:48
1. Names and Identifiers
1.1 Name
STOCK3S-75830
1.2 Synonyms

2-(3-bromophenyl)-1-(2-chlorophenyl)-1h-imidazo[4,5-b]quinoxaline 2-(3-bromophenyl)-1-(2-chlorophenyl)imidazo[4,5-b]quinoxaline 2-(3-bromophenyl)-3-(2-chlorophenyl)imidazo[4,5-b]quinoxaline AC1MZET3 AKOS025271596 MCULE-8755077880 MOLPORT-002-590-958 STL225380 ZINC9435237

1.3 CAS No.
1467-21-6
1.4 CID
280363
1.5 Molecular Formula
C23H19ClFNO2 (isomer)
1.6 Inchi
InChI=1S/C14H14N2O/c17-14(16-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,15,16,17)
1.7 InChkey
XXFBRXQVPJVXFB-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC=C(C=C1)CNC(=O)NC2=CC=CC=C2
1.9 Isomers Smiles
C1=CC=C(C=C1)CNC(=O)NC2=CC=CC=C2
2. Properties
3.1 Refractive index
1.633
3.1 Vapour pressure
1.46E-05mmHg at 25°C
3.1 PSA
41.13
3.1 logP
3.47220
3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H319 Causes serious eye 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.

Response

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

P330 Rinse mouth.

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

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

4. Computational chemical data
  • Molecular Weight: 226.279g/mol
  • Molecular Formula: C23H19ClFNO2
  • Compound Is Canonicalized: True
  • XLogP3-AA: 2.4
  • Exact Mass: 226.110613074
  • Monoisotopic Mass: 226.110613074
  • Complexity: 230
  • Rotatable Bond Count: 3
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Topological Polar Surface Area: 41.1
  • Heavy Atom Count: 17
  • 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
5. Recommended Suppliers
Global2SuppliersView all >>
  • Tel:156 330 66222
Urea,N-phenyl-N'-(phenylmethyl)-
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/metric ton
  • Time: 2019/02/25
Inquire
  • Tel:+86-576-88312366
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/04/01
Inquire