Benzylmalonic Acid

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Names

[ CAS No. ]:
616-75-1

[ Name ]:
Benzylmalonic Acid

[Synonym ]:
MFCD00004261
2-benzylpropanedioic acid
EINECS 210-491-5

Chemical & Physical Properties

[ Density]:
1.34 g/cm3

[ Boiling Point ]:
378.4ºC at 760 mmHg

[ Melting Point ]:
117-120 °C(lit.)

[ Molecular Formula ]:
C10H10O4

[ Molecular Weight ]:
194.18400

[ Flash Point ]:
196.8ºC

[ Exact Mass ]:
194.05800

[ PSA ]:
74.60000

[ LogP ]:
1.01450

[ Storage condition ]:
Refrigerator

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OO0525000
CHEMICAL NAME :
Malonic acid, benzyl-
CAS REGISTRY NUMBER :
616-75-1
BEILSTEIN REFERENCE NO. :
0643530
LAST UPDATED :
199709
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H10-O4
MOLECULAR WEIGHT :
194.20
WISWESSER LINE NOTATION :
QVYVQ1R

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 :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

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-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
OO0525000

[ HS Code ]:
2917399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Diethyl benzylmalonate
  • Carbon dioxide
  • Benzene, [(1E)-2-bromoethenyl]-
  • 5-Benzyl-Meldrum's acid
  • Benzyl bromide
  • benzylthiol
  • Benzylmalononitrile
  • Propanedioic acid,2-(phenylmethylene)-
  • 2-phenylethane-1,1,2-tricarbonitrile

DownStream

  • 2-Benzylacrylicacid
  • Diethyl benzylmalonate
  • 1-benzyl-1,3-diazinane-2,4,6-trione
  • 3-(Acetylsulfanyl)-2-benzylpropanoic acid
  • Hydrocinnamic acid
  • Carbon dioxide
  • Methyl 2-benzylacrylate
  • 3-Phenylpropanamide
  • N-anilino-2-phenyl-N-phenylimino-ethanimidamide

Customs

[ HS Code ]: 2917399090

[ Summary ]:
2917399090 aromatic polycarboxylic acids, 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%

Related Compounds

  • benzylmalonic acid monoamide
  • 2-bromo-2-benzylmalonic acid
  • benzylmalonic acid dimethyl ester
  • Benzylmalonic Acid Dimethyl Ester
  • 2-benzylmalonic acid monoethyl ester
  • 2-(methylthio)methyl-2-benzylmalonic acid
  • methyl 2-(cyclopropanecarbonyl)-4-oxo-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-5-carboxylate
  • Methyl 5-oxo-1,2,3,4,5,10-hexahydrobenzo[b][1,7]naphthyridine-6-carboxylate
  • 2-Cyclopropyl-3-(3-fluorophenyl)propanoic acid
  • Ethyl 4-bromo-6,7-dihydro-6-methyl-7-oxo-1-(phenylmethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
  • 5-(3-Hydroxyphenyl)pyrimidine-2-carboxylic acid
  • 7-((Dimethylamino)methyl)-3-(imidazo[2,1-b]thiazol-6-yl)-2H-chromen-2-one
  • 3-((2,2-Dimethylcyclopropyl)amino)pyridazine-4-carboxylic acid
  • 2,3-Dibromo-4,6-dimethylpyrazolo[1,5-a]pyrazine
  • 3-Bromo-5-fluoro-2-methylphenol
  • 3-Bromo-4-fluoro-5-methylphenol