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38915-59-2

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Basic Information
CAS No.: 38915-59-2
Name: 7-({3-[(2-chloroethyl)(propyl)ammonio]propyl}amino)benzo[b][1,10]phenanthrolinediium trichloride
Molecular Structure:
Molecular Structure of 38915-59-2 (7-({3-[(2-chloroethyl)(propyl)ammonio]propyl}amino)benzo[b][1,10]phenanthrolinediium trichloride)
Formula: C24H27ClN4•3ClH
Molecular Weight: 516.38
Density: g/cm3
Boiling Point: 585.5°Cat760mmHg
Flash Point: 307.9°C
Safety: Poison by intraperitoneal route. Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
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  • 7-(3-(2-CHLOROETHYL-n-PROPYLAMINO)-PROPYLAMINO)BENZO(b)(1,10)PHEN-ATHROLINE HYDROCHLORIDE

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    38915-59-2

    7-(3-(2-CHLOROETHYL-n-PROPYLAMINO)-PROPYLAMINO)BENZO(b)(1,10)PHEN-ATHROLINE HYDROCHLORIDE

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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

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Chemistry

IUPAC Name: 3-(Benzo[b][1,10]phenanthroline-1,12-diium-7-ylamino)propyl-(2-chloroethyl)-propylazanium trichloride
Synonyms of 7-(3-(2-Chloroethyl-n-propylamino)propylamino)benzo(b)(1,10)-phenathroline hydrochloride (CAS NO. 38915-59-2): Benzo(b)(1,10)phenanthroline, 7-(3-(N-(2-chloroethyl)-N-propylamino)propylamino)-, trihydrochloride
CAS NO: 38915-59-2
Molecular Formula: C24H30Cl4N4
Molecular Weight: 516.3338
Molecular Structure :
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 9
Polar Surface Area: 11 Å2
Flash Point: 307.9 °C
Enthalpy of Vaporization: 87.47 kJ/mol
Boiling Point: 585.5 °C at 760 mmHg
Vapour Pressure: 1.08E-13 mmHg at 25°C
InChI: InChI=1/C24H27ClN4.3ClH/c1-2-15-29(17-12-25)16-6-14-27-23-19-8-3-4-9-21(19)28-24-20(23)11-10-18-7-5-13-26-22(18)24;;;/h3-5,7-11,13H,2,6,12,14-17H2,1H3,(H,27,28);3*1H
InChIKey: PGSWPAFPWLYZJI-UHFFFAOYAQ
Std. InChI: InChI=1S/C24H27ClN4.3ClH/c1-2-15-29(17-12-25)16-6-14-27-23-19-8-3-4-9-21(19)28-24-20(23)11-10-18-7-5-13-26-22(18)24;;;/h3-5,7-11,13H,2,6,12,14-17H2,1H3,(H,27,28);3*1H
Std. InChIKey: PGSWPAFPWLYZJI-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD20 intraperitoneal 1136ug/kg (1.136mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 739, 1972.

Safety Profile

Poison by intraperitoneal route. Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. When 7-(3-(2-Chloroethyl-n-propylamino)propylamino)benzo(b)(1,10)-phenathroline hydrochloride (CAS NO. 38915-59-2) is heated to decomposition, it emits very toxic fumes of Cl− and NOx.