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Home> Hot Product Listed I   > I14-15489
95-03-4 structure

I14-15489

CAS No.:95-03-4
Molecular Weight:194.05846
Molecular Formula:C11H10CLNO2 (isomer)
Names and Identifiers
Synonyms

1,3,4-oxadiazole-2-acetic acid, 5-(2-fluorophenyl)-

Inchi
InChI=1/C7H8ClNO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H3
Canonical Smiles
COC1=C(C=C(C=C1)Cl)N.Cl
Properties
Melting Point
81-83 °C(lit.)
Refractive Index
1.572
HS Code
2922299090
Safety and Handling
Risk Statements
R20/21/22
Safety Statements
26-36/37
HazardClass
6.1
PackingGroup
III
Transport
UN 2233 6.1/PG 3
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H412 Harmful to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

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:194.05846g/mol
  • Molecular Formula:C11H10CLNO2
  • Exact Mass:193.006119
  • Monoisotopic Mass:193.006119
  • Complexity:110
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:35.2
  • Heavy Atom Count:11
  • 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
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