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Cyanoacetamide

Cyanoacetamide structure

CAS No:
107-91-5
Formula:
C3H4N2O
Chemical Name:
Cyanoacetamide
Synonyms:
Acetamide,2-cyano-;Acetamide,cyano-;2-Cyanoacetamide;Malonamide nitrile;Nitrilomalonamide;Cyanoacetamide;Malonamonitrile;Cyanoiminoacetic acid;Cyanacetamide;α-Cyanoacetamide;Cyanoacetic acid amide;NSC 6285;NSC 8948;8: PN: WO2007101224 PAGE: 36 claimed sequence;Malonoamide nitrile;30587-80-5
Categories:
Organic Chemistry > Amides

Description

WHITE TO LIGHT CREAM CRYSTALLINE POWDERA codon of glutamine that directs the placement ofglutamine into a polypeptide.2-Cyanoacetamide was used in spectrofluorimetric method for the determination of some antihistaminic H1 receptor antagonist drugs such as ebastine, cetirizine dihydrochloride and fexofenadine hydrochloride. It may be used in fluorometric determination of 3,4-dihydroxyphenylalanine. It was used as post column fluorigenic derivatizing agent for the bio-analysis and pharmacokin

Cyanoacetamide Basic Attributes

Molecular Weight：

84.07670

Exact Mass：

84.08

EC Number：

203-531-8

UNII：

YBK38G2YXH

NSC Number：

8948|6285

DSSTox ID：

DTXSID2051552

Color/Form：

NEEDLES FROM ALCOHOL|PLATES (WATER)|WHITE POWDER

HScode：

2926909090

Characteristics

PSA：

66.88000

XLogP3：

-1

Appearance：

white to light cream crystalline powder

Density：

1.4

Melting Point：

119.5 °C

Boiling Point：

351.2ºC at 760 mmHg

Flash Point：

215ºC

Refractive Index：

1.43 (20ºC)

Water Solubility：

H2O: soluble ;1 G DISSOLVES IN 6.5 ML COLD WATER; 1.3 G @ 0 DEG C IN 100 ML OF 95% ALCOHOL; 3.1 G @ 26 DEG C IN 100 ML OF 95% ALCOHOL; 7.0 G @ 44 DEG C IN 100 ML OF 95% ALCOHOL; 14.0 G @ 62 DEG C IN 100 ML OF 95% ALCOHOL; 21.5 G @ 71 DEG C IN 100 ML OF 95% ALCOHOL

Storage Conditions：

Do not store in direct sunlight. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incom

Safety Information

Packing level：

III

Transport codes：

UN 3439 6.1/PG 3

wgk germany：

hazard class code：

R20/21/22

safety instructions：

S28

RTECS Number：

AB5950000

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335

Hazardous Reactivities：

SEE CYANIDES. ON CONTACT WITH ACID, ACID FUMES, WATER OR STEAM, THEY WILL PRODUCE TOXIC & FLAMMABLE VAPORS. /CYANIDES/

GHS Classification：

|Warning|H302 (76.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 60 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Fire Potential：

SEE CYANIDES. MODERATE, BY CHEMICAL REACTION WITH HEAT, MOISTURE, ACID. /CYANIDES/

Preventive Measures：

SEE CYANIDES. VENTILATION CONTROL: THE BASIC VENTILATION METHODS ARE LOCAL & EXHAUST VENTILATION & DILUTION (GENERAL) VENTILATION. /CYANIDES/

Toxicity

Non-Human Toxicity Values：

LD50 RATS ORAL MORE THAN 3200 MG/KG|LD50 RATS INTRAPERITONEAL MORE THAN 800 MG/KG

Drug Information

Human Toxicity Excerpts：

MANY ORGANIC NITRILES (OR CYANIDES) ARE DECOMP IN BODY TO YIELD TOXIC CYANIDE (CN- OR HCN). /CYANO ORGANIC COMPD/

MeSH Entry Terms：

2-cyanoacetamide

Cyanoacetamide Use and Manufacturing

Methods of Manufacturing

PREPARED BY ACTION OF AQ OR ALCOHOLIC AMMONIA ON CYANOACETIC ESTER: HESSE, AM CHEM J 18, 724 (1896); THOLE, THORPE, J CHEM SOC 99, 429 (1911); OTT, LOPMANN, BER 55, 1258 (1922); CORSON ET AL, ORG SYN COLL VOL I (2ND ED, 1941) P 179.

Uses

It is used as raw material for organic synthesis, used for synthesizing malononitrile and electroplating solution, and also used for the synthesis of drugs methotrexate and methotrexate. Used as pharmaceuticals, dyes and electroplating bath intermediates; used in organic synthesis to prepare malononitrile, dyes and electroplating bath intermediates.

Manufacturing Info：

Acetamide, 2-cyano-: ACTIVE

Computed Properties

Molecular Weight:84.08
XLogP3:-1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:84.032362755
Monoisotopic Mass:84.032362755
Topological Polar Surface Area:66.9
Heavy Atom Count:6
Complexity:98.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Methyl cyanoacetate

Ethyl cyanoacetate

Phenol

Ethyl acetate

Ethanol

1-Butanol

Ammonia

Ethyl ketone

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