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Home> Hot Product Listed 1   > [1,2,4]Triazolo[4,3-a]quinazoline,5-phenyl-1-(2-phenylethenyl)-
2008-71-1 structure

[1,2,4]Triazolo[4,3-a]quinazoline,5-phenyl-1-(2-phenylethenyl)-

Iupac Name:1-(3-chlorophenyl)-3-phenylurea
CAS No.:2008-71-1
Molecular Weight:246.694
Molecular Formula:C13H17N3O3S (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C13H11ClN2O/c14-10-5-4-8-12(9-10)16-13(17)15-11-6-2-1-3-7-11/h1-9H,(H2,15,16,17)
InChkey
BQVXYHYXISZSEZ-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)NC(=O)NC2=CC(=CC=C2)Cl
Properties
Density
1.481
Boiling Point
444.9°C at 760 mmHg
Vapour
0.00218mmHg at 25°C
Refractive Index
1.696
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H319 Causes serious eye irritation

H413 May cause long lasting harmful effects to aquatic life

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P273 Avoid release to the environment.

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

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:246.694g/mol
  • Molecular Formula:C13H17N3O3S
  • Compound Is Canonicalized:True
  • XLogP3-AA:4.1
  • Exact Mass:246.056
  • Monoisotopic Mass:246.056
  • Complexity:254
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count: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
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