2-Cyanoacetamide

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Names

[ CAS No. ]:
107-91-5

[ Name ]:
2-Cyanoacetamide

[Synonym ]:
cyanoacetic acid amide
Cyanoiminoacetic acid
Malonamide nitrile
Cyanomethylformamide
Cyanacetamide
EINECS 203-531-8
2-cyano-acetamide
Acetamide,2-cyano
2-Cyanoacetamide
cyanoacetoamide
Nitrilomalonamide
Cyanoacetamide
3-Nitrilo-propionamide
Malonamonitrile
MFCD00008024
Acetamide, 2-cyano-
2-cyanoacetoamide

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
246.1±42.0 °C at 760 mmHg

[ Melting Point ]:
119-121 °C(lit.)

[ Molecular Formula ]:
C3H4N2O

[ Molecular Weight ]:
84.077

[ Flash Point ]:
102.6±27.9 °C

[ Exact Mass ]:
84.032364

[ PSA ]:
66.88000

[ LogP ]:
-1.44

[ Vapour Pressure ]:
0.0±1.1 mmHg at 25°C

[ Index of Refraction ]:
1.504

[ Water Solubility ]:
soluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AB5950000
CHEMICAL NAME :
Acetamide, 2-cyano-
CAS REGISTRY NUMBER :
107-91-5
BEILSTEIN REFERENCE NO. :
0878221
LAST UPDATED :
199701
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C3-H4-N2-O
MOLECULAR WEIGHT :
84.09
WISWESSER LINE NOTATION :
ZV1CN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1680 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
KHZDAN Khigiena i Zdraveopazvane. Hygiene and Sanitation. (Hemus, Blvd. Russki 6, Sofia, Bulgaria) V.9- 1966- Volume(issue)/page/year: 9,50,1966
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
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
1155 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - muscle contraction or spasticity Gastrointestinal - nausea or vomiting
REFERENCE :
MELAAD Medicina del Lavoro. Industrial Medicine. (Via S. Barnaba, 8, 20122 Milan, Italy) V.16- 1925- Volume(issue)/page/year: 47,192,1956 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1982 No. of Facilities: 3 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 870 (estimated) No. of Female Employees: 45 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H315-H319-H335

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

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

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
S22-S26-S28A

[ RIDADR ]:
UN 3439 6.1/PG 3

[ WGK Germany ]:
2

[ RTECS ]:
AB5950000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Ethyl cyanoacetate
  • N-Butyl cyanoacetate
  • Butanol
  • Methyl cyanoacetate
  • Cyanoacetic acid
  • L-asparagine
  • (Z)-Methanimidic acid
  • sodium salt of ethyl cyanoacetate
  • DL-Asparagine
  • Chloramine-T

DownStream

  • N,N''-DIBENZYL-MALONAMIDE
  • (E)-2-cyano-3-[4-hydroxy-3-methoxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide
  • (E)-2-cyano-3-[3-ethoxy-4-hydroxy-5-[(4-methylphenyl)sulfanylmethyl]phenyl]prop-2-enamide
  • Butanamide,2,4-dicyano-2-(2-cyanoethyl)-
  • 6-(4-BROMOPHENYL)-1,2-DIHYDRO-4-METHYL-2-OXOPYRIDINE-3-CARBONITRILE
  • 3-anilino-2-cyano-3-methylsulfanylprop-2-enamide
  • Acetamide,2-bromo-2-cyano-
  • 2,2-Dibromo-2-cyanoacetamide
  • (E)-2-cyano-3-[3-ethoxy-4-hydroxy-5-[(4-hydroxyphenyl)sulfanylmethyl]phenyl]prop-2-enamide
  • (E)-3-[3-[(4-bromophenyl)sulfanylmethyl]-5-ethoxy-4-hydroxyphenyl]-2-cyanoprop-2-enamide

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%

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Related Compounds

  • 2-diazo-2-cyanoacetamide
  • 2-bromo-2-cyanoacetamide
  • N-hexyl-2-cyanoacetamide
  • N-decyl-2-cyanoacetamide
  • 2-Amino-2-cyanoacetamide
  • 2-Bromo-2-cyanoacetamide
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • N-[3-(Aminooxy)propyl]-N-butyl-1-butanamine