Sodium phenylacetate

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Names

[ CAS No. ]:
114-70-5

[ Name ]:
Sodium phenylacetate

[Synonym ]:
Sodium phenylacetate [USAN]
natriumphenylacetat
sodium phenyl actate
Benzeneacetic acid, sodium salt (1:1)
Sodium phenylacetate
sodium phenyl acetate
sodium 2-phenylacetate
Benzeneacetic acid,sodium salt
EINECS 204-052-7
Ph-CH2COONa
phenylacetic acid sodium salt
Phenylacetate sodium salt
Sodium benzeneacetate
UNII-48N6U1781G
MFCD00065945

Chemical & Physical Properties

[ Density]:
1.257g/cm3

[ Boiling Point ]:
265.5ºC at 760 mmHg

[ Melting Point ]:
-37ºC

[ Molecular Formula ]:
C8H7NaO2

[ Molecular Weight ]:
158.130

[ Flash Point ]:
156.2ºC

[ Exact Mass ]:
158.034378

[ PSA ]:
40.13000

[ Index of Refraction ]:
1.53 (20ºC)

[ Stability ]:
n/a

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AJ3258800
CHEMICAL NAME :
Acetic acid, phenyl-, sodium salt
CAS REGISTRY NUMBER :
114-70-5
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C8-H7-O2.Na
MOLECULAR WEIGHT :
158.14
WISWESSER LINE NOTATION :
OV1R &-NA-

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2710 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DECRDP Drugs under Experimental and Clinical Research. (Bioscience Ediprint, Blvd. James-Fazy 13, 1201 Geneva 1, Switzerland) V.1- 1977- Volume(issue)/page/year: 12(Suppl 1),11,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 12,751,1962

Safety Information

[ Safety Phrases ]:
S24/25

[ WGK Germany ]:
3

[ HS Code ]:
2916340090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Phenylacetic acid
  • Methanol
  • carbon monoxide
  • Benzyl chloride
  • Carbon dioxide
  • sodium,methanidylbenzene
  • Ethyl phenylacetate

DownStream

  • 2-Bromo-2-phenylacetic acid
  • 2,3-diphenylsuccinic acid
  • Phenylacetic acid
  • isopropyl phenyl acetate
  • α-Phenylcinnamic Acid
  • Benzeneacetic acid, a-(phenylmethylene)-, (aZ)-
  • diphenylethylene
  • stilbene
  • 2-phenylacetyl bromide
  • [2-(4-methylsulfonylphenyl)-2-oxoethyl] 2-phenylacetate

Customs

[ HS Code ]: 2916340090

[ Summary ]:
2916340090. phenylacetic acid and its salts. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:6.5%. General tariff:30.0%

Related Compounds

  • Sodium 2-oxo-2-phenylacetate
  • sodium [(4-methoxyphenyl)methylene]phenylacetate
  • sodium [[1-(methoxycarbonyl)allyl]amino]phenylacetate
  • sodium,(2R)-2-methoxy-2-phenylacetate
  • sodium,2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-2-phenylacetate
  • sodium [(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]phenylacetate
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 1-(3-Chloropropoxy)-4-fluoro-2-nitrobenzene
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • 3-amino-6-ethyl-N-(2-fluorophenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine