Benzoic-13C Acid

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Names

[ CAS No. ]:
3880-99-7

[ Name ]:
Benzoic-13C Acid

[Synonym ]:
MFCD00002399

Chemical & Physical Properties

[ Density]:
1.197g/cm3

[ Boiling Point ]:
249ºC(lit.)

[ Melting Point ]:
121-125ºC(lit.)

[ Molecular Formula ]:
C7H6O2

[ Molecular Weight ]:
123.11400

[ Exact Mass ]:
123.04000

[ PSA ]:
37.30000

[ LogP ]:
1.38480

[ Index of Refraction ]:
1.564

Safety Information

[ Symbol ]:

GHS05, GHS07, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302-H315-H317-H318-H334-H335

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338-P342 + P311

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
22-37/38-41-42/43

[ Safety Phrases ]:
22-26-36

[ RIDADR ]:
NONH for all modes of transport

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • methanedione
  • Phenyllithium
  • methylidyneoxidanium
  • benzene
  • 2-oxo-2-phenylacetic-2-13Cacid
  • 18O-benzyl alcohol
  • benzoyl chloride-α-13C
  • Bromobenzene
  • Carbonate-13C barium
  • phenylmagnesium bromide

DownStream

  • benzaldehyde-carbonyl-13c
  • Benzoyl peroxide
  • Benzoic anhydride
  • 1-(13C)-1-phenyl-1-ethanone
  • Diphenyl(13C)methanone
  • methyl benzoate
  • bromomethylbenzene
  • Phenylacetic acid-2-13C
  • benzoyl chloride-α-13C
  • chloromethylbenzene

Related Compounds

  • 3-Amino-2-(cyclohexylmethoxy)benzoic acid
  • 3-Amino-2-(2,2-difluoroethoxy)benzamide
  • 2-Methyl-N-propan-2-yloxolan-3-amine
  • Tert-butyl 3-amino-2-chlorobenzoate
  • Benzenamine, 2-chloro-3-(1-hexyl-1H-tetrazol-5-yl)-
  • 1,1-Dimethylethyl 2-chloro-3-nitrobenzoate
  • 3-Quinolinecarboxylic acid, 5-bromo-1,4-dihydro-8-methyl-4-oxo-, ethyl ester
  • Ethyl 6,8-dibromo-1,4-dihydro-4-oxoquinoline-3-carboxylate
  • Ethyl 7-fluoro-4-hydroxy-8-methylquinoline-3-carboxylate
  • ethyl 8-bromo-6-chloro-4-oxo-1H-quinoline-3-carboxylate
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