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7008-85-7

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Basic Information
CAS No.: 7008-85-7
Name: 4-diazo-4H-imidazole-5-carboxamide
Article Data: 14
Molecular Structure:
Molecular Structure of 7008-85-7 (4-diazo-4H-imidazole-5-carboxamide)
Formula: C4H3 N5 O
Molecular Weight: 137.101
Synonyms: 5-Diazoimidazole-4-carboxamide
Density: 1.5530 (rough estimate)
Melting Point: 205-2100C (dec)
Boiling Point: 251.91°C (rough estimate)
Safety: A deadly poison by intraperitoneal route. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
PSA: 105.20000
LogP: -1.76454
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Chemistry

Molecule structure of 5-Diazoimidazole-4-carboxamide (CAS NO.7008-85-7):

IUPAC Name: (Z)-Amino-(5-diazonioimidazol-4-ylidene)methanolate 
Molecular Weight: 137.09952 g/mol
Molecular Formula: C4H3N5O 
Melting Point: 205-2100 C (dec)
XLogP3-AA: 0.7
H-Bond Donor: 1
H-Bond Acceptor: 5
Tautomer Count: 4
Exact Mass: 137.03376
MonoIsotopic Mass: 137.03376
Topological Polar Surface Area: 102
Heavy Atom Count: 10
Complexity: 290
Canonical SMILES: C1=NC(=C(N)[O-])C(=N1)[N+]#N
Isomeric SMILES: C1=N/C(=C(/N)\[O-])/C(=N1)[N+]#N
InChI: InChI=1S/C4H3N5O/c5-3(10)2-4(9-6)8-1-7-2/h1H,(H2-,5,7,8,10)
InChIKey: NPULRJKDSGAKML-UHFFFAOYSA-N
EINECS: 230-284-3
Product Categories: Chemical Amines; Amines; Bases & Related Reagents; Heterocycles; Nucleotides

Toxicity Data With Reference

1.    

dni-esc 10 µg/L

     BCPCA6    Biochemical Pharmacology. 18 (1969),1463.
2.    

oms-esc 500 µg/L

     BCPCA6    Biochemical Pharmacology. 18 (1969),1463.
3.    

dni-rat:lvr 100 µmol/L

     CNREA8    Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) No. 2827 ,1976.
4.    

ipr-mus LD50:1002 µg/kg

     NCISP*    National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program, Bethesda, MD 20205 JAN86 .

Safety Profile

A deadly poison by intraperitoneal route. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.

Specification

 5-Diazoimidazole-4-carboxamide (CAS NO.7008-85-7) is also named as 5-25-07-00240 (Beilstein Handbook Reference) ; BRN 4397897 ; Diazo-ica ; Diazoimidazole-4-carboxamide ; NSC 22420 ; 4-Diazo-4H-imidazole-5-carboxamide ; Imidazole-4-carboxamide, 5-diazo- . 5-Diazoimidazole-4-carboxamide (CAS NO.7008-85-7) is pale-pink solid.