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5977-35-5

Basic Information
CAS No.: 5977-35-5
Name: IOB 82
Molecular Structure:
Molecular Structure of 5977-35-5 (IOB 82)
Formula: C12H15 Cl2 N O2
Molecular Weight: 276.163
Synonyms: p-Toluicacid, 3-[bis(2-chloroethyl)amino]- (7CI,8CI);3-[Bis(2-chloroethyl)amino]-4-methylbenzoic acid;3-[N,N-Bis(2-chloroethyl)amino]-4-methylbenzoic acid;3-[N,N-Bis(2-chloroethyl)amino]-p-toluic acid;3-[N,N'-Bis(2-chloroethyl)amino]-4-methylbenzoic acid; Alkyrom; IOB 82; NSC146171
Density: 1.302g/cm3
Boiling Point: 440.6°C at 760 mmHg
Flash Point: 220.3°C
Safety: Poison by intraperitoneal and possibly other routes. Human mutation data reported. When heated to decomposition it emits toxic fumes of Cl and NOx. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS and CHLORINATED HYDROCARBONS, AROMATIC.
PSA: 40.54000
LogP: 2.97720
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    IOB 82

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Chemistry

Molecular Structure of Alkyrom (CAS NO.5977-35-5):

IUPAC Name: 3-[bis(2-chloroethyl)amino]-4-methylbenzoic acid
Empirical Formula: C12H15Cl2NO
Molecular Weight: 276.159 
Index of Refraction: 1.587 
Surface Tension: 50.6 dyne/cm
Density: 1.302 g/cm
Flash Point: 220.3 °C
Enthalpy of Vaporization: 73.54 kJ/mol 
Boiling Point: 440.6 °C at 760 mmHg
Vapour Pressure: 1.53E-08 mmHg at 25°C 
Synonyms of Alkyrom (CAS NO.5977-35-5): 3-[Bis(2-chloroethyl)amino]-4-methylbenzoic acid ; Alkyrom

Toxicity Data With Reference

1.    

cyt-hmn:leu 300 µg/L

    CCROBU    Cancer Chemotherapy Reports, Part 1. 57 (1973),29.
2.    

ipr-rat LD50:17 mg/kg

    CCROBU    Cancer Chemotherapy Reports, Part 1. 54 (1970),319.
3.    

unr-rat LD50:17 mg/kg

    NEOLA4    Neoplasma. 27 (1980),271.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Poison by intraperitoneal and possibly other routes. Human mutation data reported. When heated to decomposition it emits toxic fumes of Cl and NOx. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS and CHLORINATED HYDROCARBONS, AROMATIC.

Specification

 Alkyrom (CAS NO.5977-35-5) is a highly toxic chemical, flammable, When heated to decomposition it emits toxic fumes of NOx and HCl. so it needed to be stored in low temperature, ventilation, drying and oxidability environmental condition, separated with food ingredients , water, carbon dioxide , dry powder, sand, water mist fire extinguishing can be used if urgency.