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5034-77-5

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Basic Information
CAS No.: 5034-77-5
Name: Imidazole
Article Data: 2
Molecular Structure:
Molecular Structure of 5034-77-5 (Imidazole)
Formula: C8H12 Cl2 N6 O
Molecular Weight: 279.129
Synonyms: Imidazole-4(or5)-carboxamide, 5(or 4)-[3,3-bis(2-chloroethyl)-1-triazeno]- (7CI); Imidazole-4-carboxamide,5-[3,3-bis(2-chloroethyl)-1-triazeno]- (8CI); 5(or4)-[3,3-Bis(2-chloroethyl)-1-triazeno]imidazole-4(or 5)-carboxamide;5-[3,3-Bis(2-chlorethyl)-1-triazeno]imidazole-4-carboxamide;5-[3,3-Bis(2-chloroethyl)-1-triazeno]imidazole-4-carboxamide;5-[3,3-Bis(2-chloroethyl)-1-triazenyl]imidazole-4-carboxamide;5-[3,3-Bis(2-chloroethyl)triazeno]imidazole-4-carboxamide; BIC; Imidazolemustard; NSC 82196
Density: 1.59g/cm3
Boiling Point: 415.2°Cat760mmHg
Flash Point: 204.9°C
Safety: Suspected carcinogen with experimental neoplastigenic and tumorigenic data. Poison by ingestion and intraperitoneal routes. Experimental teratogenic effects. Human systemic effects by intravenous route: nausea. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
PSA: 99.73000
LogP: 1.98720
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Chemistry

IUPAC Name: 4-[(E)-bis(2-chloroethyl)aminodiazenyl]-4H-imidazole-5-carboxamide
Synonyms of Imidazole mustard (CAS NO.5034-77-5) : 1H-Imidazole-4-carboxamide, 5-(3,3-bis(2-chloroethyl)-1-triazenyl)- (9CI) ; Imidazole-4-carboxamide, 5-(3,3-bis(2-chloroethyl)-1-triazeno)- ; 5-(3,3-Bis(2-Chlorethyl)-1-triazeno)-imidazole-4-carboxamide ; 5-(3,3-Bis(2-Chloroethyl)-1-triazeno)imidazole-4-carboxamide
InChI:InChI=1/C8H12Cl2N6O/c9-1-3-16(4-2-10)15-14-8-6(7(11)17)12-5-13-8/h5,8H,1-4H2,(H2,11,17)/b15-14+
CAS NO: 5034-77-5
Molecular Formula:C8H12Cl2N6O
Molecular Weight :279.1265
Molecular Structure :
Index of Refraction: 1.663
Surface Tension: 62.1 dyne/cm
Density: 1.59 g/cm3
Flash Point: 213 °C
Enthalpy of Vaporization: 68.38 kJ/mol
Boiling Point: 428.6 °C at 760 mmHg
Vapour Pressure: 1.49E-07 mmHg at 25°C
 

Uses

 Imidazole mustard (CAS NO.5034-77-5) is used as  intermediate in organic synthesis.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TDLo intravenous 9gm/kg (9000mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING Cancer Chemotherapy Reports, Part 1. Vol. 56, Pg. 671, 1972.
mouse LD50 intraperitoneal 60060ug/kg (60.06mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
rat LD50 intraperitoneal 210mg/kg (210mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
rat LD50 oral 267mg/kg (267mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,

 

Consensus Reports

NCI Carcinogenesis Studies (ipr); Clear Evidence: mouse, rat CANCAR    Cancer. 40 (1977),1935. .

Safety Profile

Suspected carcinogen with experimental neoplastigenic and tumorigenic data. Poison by ingestion and intraperitoneal routes. Experimental teratogenic effects. Human systemic effects by intravenous route: nausea. When Imidazole mustard (CAS NO.5034-77-5) is heated to decomposition, it emits very toxic fumes of Cl− and NOx.