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Home> Encyclopedia > Hot Product Listed 5   > 5(4H)-Oxazolone,2-[(1E)-2-phenylethenyl]-4-(phenylmethylene)-, (4Z)-
30168-23-1 structure

5(4H)-Oxazolone,2-[(1E)-2-phenylethenyl]-4-(phenylmethylene)-, (4Z)-

CAS No.:30168-23-1
Molecular Weight:204.308
Molecular Formula:C11H11BRN6O (isomer)
Names and Identifiers
Synonyms

(4z)-2-[(e)-2-phenylethenyl]-4-(phenylmethylidene)-1,3-oxazol-5-one (4z)-4-benzylidene-2-[(e)-2-phenylethenyl]-1,3-oxazol-5-one 5(4H)-Oxazolone,2-(2-phenylethenyl)-4-(phenylmethylene)-, (Z,E)- AC1LT5SF DTXSID70364368 HE264766 nsc201795 nsc-201795 nsc367607 nsc-367607 ZINC5553113

Inchi
InChI=1/C14H20O/c15-7-2-1-4-10-8-11-9-14(10)13-6-3-5-12(11)13/h4,7,11-14H,1-3,5-6,8-9H2
Canonical Smiles
C1CC2C(C1)C3CC2CC3=CCCC=O
Isomers Smiles
C1CC2C(C1)C\3CC2C/C3=C\CCC=O
Properties
Density
1.977
Melting Point
328-330ºC
Boiling Point
176.4°Cat760mmHg
Refractive Index
1.583
Flash Point
°C
HS Code
2912299000
Safety and Handling
Safety Statements
Low toxicity by ingestion and skin contact. A skin and eye irritant. When heated to decomposition it emits acrid smoke and irritating vapors.
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

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

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.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:204.308g/mol
  • Molecular Formula:C11H11BRN6O
  • Exact Mass:204.151415
  • Monoisotopic Mass:204.151415
  • Complexity:292
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:17.1
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:4
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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