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99711-15-6

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Basic Information
CAS No.: 99711-15-6
Name: 6-chloro-N-{3-[(2-chloroethyl)sulfanyl]propyl}-2-methoxyacridin-9-aminium chloride
Molecular Structure:
Molecular Structure of 99711-15-6 (6-chloro-N-{3-[(2-chloroethyl)sulfanyl]propyl}-2-methoxyacridin-9-aminium chloride)
Formula: C19H20Cl2N2OS•ClH
Molecular Weight: 431.83
Density: g/cm3
Boiling Point: 597.7°Cat760mmHg
Flash Point: 315.3°C
Safety: Poison by intravenous route. Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits very toxic fumes of Cl−, SOx, and NOx. See also MERCAPTANS.
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  • 3-(2-chloroethylsulfanyl)propyl-(6-chloro-2-methoxyacridin-9-yl)azaniumchloride

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    99711-15-6

    3-(2-chloroethylsulfanyl)propyl-(6-chloro-2-methoxyacridin-9-yl)azaniumchloride

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Chemistry

Product Name: 6-Chloro-9-(3-(2-chloroethyl)mercaptopropylamino)-2-methoxyacridine hydrochloride (CAS NO.99711-15-6)


Molecular Formula: C19H20Cl2N2OS•ClH
Molecular Weight: 431.83g/mol
Mol File: 99711-15-6.mol
Boiling point: 597.7 °C at 760 mmHg
Flash Point: 315.3 °C
Enthalpy of Vaporization: 89.02 kJ/mol
Vapour Pressure: 3E-14 mmHg at 25°C
H-Bond Donor: 1
H-Bond Acceptor: 3
IUPAC Name: 3-(2-chloroethylsulfanyl)propyl-(6-chloro-2-methoxyacridin-9-yl)azanium
chloride
Canonical SMILES: COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)[NH2+]CCCSCCCl.[Cl-]
InChI: InChI=1S/C19H20Cl2N2OS.ClH/c1-24-14-4-6-17-16(12-14)19(22-8-2-9-25-10-7-
20)15-5-3-13(21)11-18(15)23-17;/h3-6,11-12H,2,7-10H2,1H3,(H,22,23);1H 
InChIKey: JJGQCMTUYCANDB-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

ivn-mus TDLo:6500 µg/kg:NEO

     CNREA8    Cancer Research. 36 (1976),2423.
2.    

ivn-mus LDLo:12 mg/kg

     CNREA8    Cancer Research. 36 (1976),2423.

Safety Profile

Poison by intravenous route. Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits very toxic fumes of Cl−, SOx, and NOx. See also MERCAPTANS.

Specification

 6-Chloro-9-(3-(2-chloroethyl)mercaptopropylamino)-2-methoxyacridine hydrochloride ,its CAS NO. is 99711-15-6,the synonyms is 2-Methoxy-6-chloro-9-(3-(2-chloroethyl)mercaptopropylamino)acridine hydrochloride ; Acridine, 6-chloro-9-((3-((2-chloroethyl)thio)propyl)amino)-
2-methoxy-, hydrochloride .