Phenylglyoxylic acid

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Names

[ CAS No. ]:
611-73-4

[ Name ]:
Phenylglyoxylic acid

[Synonym ]:
Oxo(phenyl)acetic acid
α-Ketophenylacetic acid
Benzeneacetic acid, α-oxo- (9CI)
α-Oxobenzeneacetic acid
2-oxo-2-phenylacetic acid
Phenylgloxylic acid
phenylglyoxylate
UNII-2PZL5A0W0M
Oxo-phenyl-acetic acid
benzeneglyoxylic acid
Oxophenylacetic acid
Benzoylformic acid
Phenylglyoxylic acid
a-Oxobenzeneacetic Acid
a-Ketophenylacetic Acid
Benzoyl formoic acid
phenylglyoxalic acid
Benzeneacetic acid, α-oxo-
Formic acid, benzoyl-
EINECS 210-278-7
2-phenylethanoic acid
α-Oxophenylacetic acid
Benzoylformate
Glyoxylic acid, phenyl- (8CI)
MFCD00002575
glyoxylic acid, phenyl-

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
258.6±13.0 °C at 760 mmHg

[ Melting Point ]:
62-65 °C(lit.)

[ Molecular Formula ]:
C8H6O3

[ Molecular Weight ]:
150.131

[ Flash Point ]:
124.4±16.3 °C

[ Exact Mass ]:
150.031693

[ PSA ]:
54.37000

[ LogP ]:
0.69

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.569

[ Storage condition ]:
Refrigerator

[ Water Solubility ]:
methanol: 0.1 g/mL, clear

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DA1480000
CHEMICAL NAME :
Benzeneglyoxylic acid
CAS REGISTRY NUMBER :
611-73-4
BEILSTEIN REFERENCE NO. :
0606718
LAST UPDATED :
199709
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H6-O3
MOLECULAR WEIGHT :
150.14
WISWESSER LINE NOTATION :
QVVR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04110

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

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

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S28-S36-S28A-S24-S22

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
DA1480000

[ HS Code ]:
29183000

Synthetic Route

Precursor & DownStream

Precursor

  • Mandelic acid
  • styrene glycol
  • Ethyl oxophenylacetate
  • 3-Phenylpropanal
  • Phenylacetaldehyde
  • Benzenepropanal, a-oxo-
  • Benzoyl cyanide
  • Phenylglyoxal
  • Acetophenone
  • Methyl phenylglyoxylate

DownStream

  • ALPHA-OXO-N-[(R)-1-PHENYLETHYL]PHENYLACETAMIDE
  • Phenyl(3-pyridinyl)methanone
  • 2-Aminophenylaceticacid
  • 1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
  • (r)-(-)-2-hydroxy-2-phenylpropionic acid
  • Phenylacetic acid
  • Phenethyl alcohol
  • Mandelic acid
  • Ethyl benzoate
  • benzoic acid

Customs

[ HS Code ]: 2918300090

[ Summary ]:
2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

Articles

Development of a multi-residue method in a fetal matrix: analysis of meconium.

Anal. Bioanal. Chem 406(30) , 7785-97, (2014)

Meconium is the earliest stool of newborns. It is a complex matrix that reflects the degree of fetal exposure to environmental pollutants. To investigate exposure to xenobiotics, an analytical method ...

Development of liquid chromatography methods coupled to mass spectrometry for the analysis of substances with a wide variety of polarity in meconium.

Talanta 138 , 231-9, (2015)

Meconium is the first fecal excretion of newborns. This complex accumulative matrix allows assessing the exposure of the fetus to xenobiotics during the last 6 months of pregnancy. To determine the ev...

Copper/alpha-ketocarboxylate chemistry with supporting peralkylated diamines: reactivity of copper(I) complexes and dicopper-oxygen intermediates.

Inorg. Chem. 49(7) , 3531-9, (2010)

To further understand copper-promoted oxidation reactions, the Cu(I) complexes LCuX (L = N,N'-di-tert-butyl-N,N'-dimethylethylenediamine; X = benzoylformate (BF) or p-nitro-benzoylformate) were synthe...


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Related Compounds

  • phenylglyoxylic acid
  • Phenylglyoxylic Acid-d5
  • phenylglyoxylic acid oxime
  • 4-bromophenylglyoxylic acid
  • phenylglyoxylic acid chloride
  • phenylglyoxylic acid hydrazone
  • Tert-butyl 3-amino-4,4,5,5,5-pentafluoro-3-methylpentanoate
  • rac-ethyl (2R,5S)-5-cyclohexylpiperidine-2-carboxylate
  • tert-butyl (1S)-6-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
  • Tert-butyl 2-(methylamino)-2-[2-(trifluoromethyl)phenyl]acetate
  • 3-(2-{[(tert-butoxy)carbonyl]amino}-4-oxo-1H,4H-thieno[3,2-d]pyrimidin-6-yl)benzoic acid
  • 5-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidin-2-yl)-1,3,4-thiadiazole-2-carboxylic acid
  • 3-{[(Tert-butoxy)carbonyl](3-fluorophenyl)amino}propanoic acid
  • 3-{[(Benzyloxy)carbonyl](3-ethoxypropyl)amino}-2-methylpropanoic acid
  • 3-{[(Benzyloxy)carbonyl]amino}quinoxaline-2-carboxylic acid
  • 6-({[(benzyloxy)carbonyl]amino}methyl)-5H,6H,7H,8H-imidazo[1,2-a]pyridine-2-carboxylic acid
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