Cyanoacetic acid

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

DownStream

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...

Related Compounds

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