Cyanoacetic acid

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Names

[ CAS No. ]:
372-09-8

[ Name ]:
Cyanoacetic acid

[Synonym ]:
EINECS 206-743-9
Acetic acid, 2-cyano-
Cyanoacetic acid
Cyano-acetic acid
MFCD00002677

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
318.5±0.0 °C at 760 mmHg

[ Melting Point ]:
65 °C

[ Molecular Formula ]:
C3H3NO2

[ Molecular Weight ]:
85.061

[ Flash Point ]:
107.8±0.0 °C

[ Exact Mass ]:
85.016380

[ PSA ]:
61.09000

[ LogP ]:
-0.76

[ Vapour Pressure ]:
0.0±1.4 mmHg at 25°C

[ Index of Refraction ]:
1.440

[ Water Solubility ]:
1000 g/L (20 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AG3675000
CHEMICAL NAME :
Acetic acid, cyano-
CAS REGISTRY NUMBER :
372-09-8
BEILSTEIN REFERENCE NO. :
0506325
LAST UPDATED :
199710
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C3-H3-N-O2
MOLECULAR WEIGHT :
85.07
WISWESSER LINE NOTATION :
QV1CN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1500 mg/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - dyspnea Skin and Appendages - hair
REFERENCE :
LONZA# Personal Communication from LONZA Ltd., CH-4002, Basel, Switzerland Volume(issue)/page/year: 12JAN1981
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: AD691-490
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1900 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Lungs, Thorax, or Respiration - respiratory depression Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 5,161,1899
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Amphibian - frog
DOSE/DURATION :
1300 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 5,161,1899 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4050 No. of Facilities: 17 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 919 (estimated) No. of Female Employees: 306 (estimated)

Safety Information

[ Symbol ]:

GHS05, GHS07

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302 + H332-H314

[ Supplemental HS ]:
Contact with acids liberates toxic gas.

[ Precautionary Statements ]:
P280-P305 + P351 + P338-P310

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges

[ Hazard Codes ]:
C:Corrosive

[ Risk Phrases ]:
R20/22;R31;R34;R52/53

[ Safety Phrases ]:
S26-S36/37/39-S45-S61-S20

[ RIDADR ]:
UN 3261 8/PG 2

[ WGK Germany ]:
2

[ RTECS ]:
AG3675000

[ Packaging Group ]:
II

[ Hazard Class ]:
8

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Ethyl cyanoacetate
  • Malononitrile
  • L-Aspartic acid
  • Carbon dioxide
  • Acetonitrile
  • cyanoacetic acid, deprotonated form
  • 2-chloroacetonitrile
  • sodium cyanoacetate
  • Methyl cyanoacetate

DownStream

  • (1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-ACETONITRILE
  • Methyl 4-[(cyanoacetyl)amino]benzoate
  • sodium cyanoacetate
  • 2-Octyl cyanoacetate
  • 3-Dimethylaminoacrylonitrile
  • 6,8-dibromocoumarin-3-carboxylic acid
  • (2-Benzimidazolyl)acetonitrile
  • 2-Ethoxyethyl cyanoacetate
  • N-Cyanoacetyl-Nisobutylurea
  • 3-(4-Methoxyphenyl)-3-oxopropanenitrile

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%

Articles

Identification of two urinary metabolites of rats treated with acrylonitrile; influence of several inhibitors on the mutagenicity of those urines.

Toxicol. Lett. 7(4-5) , 321-7, (1981)

Urines collected from rats injected with acrylonitrile (ACN) were mutagenic towards Salmonella typhimurium TA1530; this activity was reduced when the animals were pretreated by pyrazole (inhibitor of ...

A copper(I)-catalyzed reaction of 2-(2-ethynylphenyl)oxirane, sulfonyl azide, with 2-isocyanoacetate.

Chem. Commun. (Camb.) 48(71) , 8973-5, (2012)

A novel and straightforward synthetic protocol for the efficient construction of 3',5'-dihydro-1H-spiro[benzo[d]oxepine-2,4'-imidazoles] through a copper(I)-catalyzed reaction between 2-(2-ethynylphen...

Metabolism of 3,3'-iminodipropionitrile and deuterium-substituted analogs: potential mechanisms of detoxification and activation.

Toxicol. Appl. Pharmacol. 124(1) , 59-66, (1994)

3,3'-Iminodipropionitrile (IDPN), a neurotoxicant that causes an excitatory CNS syndrome and a proximal axonopathy, is metabolized to beta-aminopropionitrile (BAPN), cyanoacetic acid (CAA), and beta-a...


More Articles

Related Compounds

  • CYANOACETIC ACID-OSU
  • Aminocyanoacetic acid
  • cyanoacetic acid amide
  • [2-13C]-cyanoacetic acid
  • [3-14C]-cyanoacetic acid
  • cyanoacetic acid-chloride
  • 1-((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-isobutylquinazoline-2,4(1H,3H)-dione
  • 2-[7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-cyclopentylacetamide
  • 2-[7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(4-methylbenzyl)acetamide
  • 2-[7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(2-methoxybenzyl)acetamide
  • 2-[7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(2,3-dimethoxybenzyl)acetamide
  • 2-[7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(4-fluorobenzyl)acetamide
  • 2-(7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)-N-(2-fluorophenyl)acetamide
  • 2-(7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)-N-(4-fluorophenyl)acetamide
  • 2-[7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
  • 2-[7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(3-fluoro-4-methylphenyl)acetamide