o-Carboxyphenylacetonitrile

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Names

[ CAS No. ]:
6627-91-4

[ Name ]:
o-Carboxyphenylacetonitrile

[Synonym ]:
21-Cyan-o-toluyl-saeure
2-Carboxy-phenylacetonitril
EINECS 229-602-3
2-cyanomethyl-benzoic acid
MFCD00020293
o-Carboxyphenylacetonitrile
o-cyanomethylbenzoic acid
2-Cyanmethyl-benzoesaeure

Chemical & Physical Properties

[ Density]:
1.257g/cm3

[ Boiling Point ]:
348.8ºC at 760 mmHg

[ Molecular Formula ]:
C9H7NO2

[ Molecular Weight ]:
161.15700

[ Flash Point ]:
164.8ºC

[ Exact Mass ]:
161.04800

[ PSA ]:
61.09000

[ LogP ]:
1.45088

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DG5644450
CHEMICAL NAME :
Benzoic acid, 2-(cyanomethyl)-
CAS REGISTRY NUMBER :
6627-91-4
BEILSTEIN REFERENCE NO. :
0472769
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H7-N-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,7,1953

Safety Information

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-Hydroxyimino-1-indanon
  • Ethyl 2-(cyanomethyl)benzoate
  • Phthalide
  • POTASSIUM CYANIDE
  • 1H-Indene-1,2(3H)-dione,2-oxime
  • 2-Methylbenzoic acid
  • Ethyl 2-methylbenzoate
  • Ethyl 2-(bromomethyl)benzoate
  • 3-chloroisochromen-1-one

DownStream

  • Ethyl 2-(cyanomethyl)benzoate
  • Homophthalic acid
  • Ammonia
  • 1,3-Dichloroisoquinoline
  • Methyl 2-(2-aminoethyl)benzoate
  • 2-Cyanomethylbenzoic acid methyl ester
  • 3,4-Dihydroisoquinolin-1(2H)-one
  • RG-12525
  • 1 (2H)-Isoquinolinone, 3-hydroxy-
  • Benzoyl chloride, 2-(cyanomethyl)- (9CI)

Customs

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Related Compounds

  • O-butyl butoxycarbothioylsulfanylmethoxymethylsulfanylmethanethioate
  • O-methyl-N,N-dimethylamidophosphorothiochloridate
  • [o-[5-[2-hydroxy-5-[(m-sulphamoylphenyl)sulphamoyl]phenyl]-3-phenyl-1-formazano]benzoato(2-)]copper
  • o-Nitrobenzyl-5 tetrahydro-5,6,7,7a 4H-thieno(3,2-c)pyridinone-2 oxala te [French]
  • O-(OCTYLPHOSPHORYL)CHOLINE SOLUTION
  • o-(3-Amino-4-sodiooxybenzoyl)benzoic acid sodium salt
  • N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(2-(4-fluorophenyl)acetamido)benzofuran-2-carboxamide
  • N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(2,2-diphenylacetamido)benzofuran-2-carboxamide
  • 3-(2-([1,1'-biphenyl]-4-yl)acetamido)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)benzofuran-2-carboxamide
  • N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(2-phenylbutanamido)benzofuran-2-carboxamide
  • N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(2-(thiophen-2-yl)acetamido)benzofuran-2-carboxamide
  • N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(3,3-diphenylpropanamido)benzofuran-2-carboxamide
  • 3-(5-bromofuran-2-carboxamido)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)benzofuran-2-carboxamide
  • N-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-1-benzofuran-3-yl}-5-oxo-1-phenylpyrrolidine-3-carboxamide
  • N-(2-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)carbamoyl)benzofuran-3-yl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
  • N-(2-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)carbamoyl)benzofuran-3-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
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