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Basic Information
CAS No.: 146-59-8
Name: 6-CHLORO-9-[3-N-(2-CHLOROETHYL)ETHYLAMINO]PROPYLAMINO-2-METHOXYACRIDINE DIHYDROCHLORIDE
Molecular Structure:
Molecular Structure of 146-59-8 (6-CHLORO-9-[3-N-(2-CHLOROETHYL)ETHYLAMINO]PROPYLAMINO-2-METHOXYACRIDINE DIHYDROCHLORIDE)
Formula: C21H25 Cl2 N3 O . 2 Cl H
Molecular Weight: 479.31
Synonyms: 1,3-Propanediamine,N-(2-chloroethyl)-N'-(6-chloro-2-methoxy-9-acridinyl)-N-ethyl-, dihydrochloride(9CI); Acridine,6-chloro-9-[[3-[(2-chloroethyl)ethylamino]propyl]amino]-2-methoxy-,dihydrochloride (7CI,8CI);2-Methoxy-6-chloro-9-[3-(ethyl-2-chloroethylamino)propylamino]acridinehydrochloride;2-Methoxy-6-chloro-9-[3-[ethyl(2-chloroethyl)amino]propylamino]acridinedihydrochloride; Acridine mustard; ICR 170; ICR 170H
Density: g/cm3
Melting Point: 231-232 °C
Boiling Point: 546.9°Cat760mmHg
Flash Point: 284.5°C
Hazard Symbols:
Risk Codes: 68-40-23/24/25
Safety: Poison by intravenous and intraperitoneal routes. Questionable carcinogen with experimental neoplastigenic data. Experimental reproductive effects. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx and HCl.
PSA: 37.39000
LogP: 7.08970
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Chemistry


IUPAC Name: N-(2-chloroethyl)-N'-(6-chloro-2-methoxyacridin-9-yl)-N-ethylpropane-1,3-diamine dihydrochloride 
Molecular Weight: 479.27058 g/mol
Molecular Formula: C21H27Cl4N3O
Melting Point: 231-232 °C
Boiling Point: 546.9 °C at 760 mmHg
Flash Point: 284.5 °C 
Appreance: yellow to orange crystalline powder
Enthalpy of Vaporization: 82.6 kJ/mol
Vapour Pressure: 5.17E-12 mmHg at 25 °C 
H-Bond Donor: 3
H-Bond Acceptor: 4
Rotatable Bond Count: 9
Tautomer Count: 2
Exact Mass: 479.087873
MonoIsotopic Mass: 477.090823
Topological Polar Surface Area: 37.4
Heavy Atom Count: 29
Complexity: 442
Canonical SMILES: CCN(CCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC)CCCl.Cl.Cl
InChI: InChI=1S/C21H25Cl2N3O.2ClH/c1-3-26(12-9-22)11-4-10-24-21-17-7-5-15(23)13-20(17)25-19-8-6-16(27-2)14-18(19)21;;/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,24,25);2*1H
InChIKey: PWGOWIIEVDAYTC-UHFFFAOYSA-N
EINECS: 205-675-7
Product Categories: Organics

Toxicity Data With Reference

1.    

mmo-sat 500 ng/plate

     MUREAV    Mutation Research. 136 (1984),185.
2.    

slt-dmg-orl 20,860 µmol/L

     ENMUDM    Environmental Mutagenesis. 6 (1984),153.
3.    

ipr-mus TDLo:4 mg/kg (1D pre):REP

     MUREAV    Mutation Research. 13 (1971),171.
4.    

ivn-mus TDLo:4800 µg/kg/28D-I:NEO

     CNREA8    Cancer Research. 36 (1976),2423.
5.    

ipr-mus LD20:2 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 15 (1972),739.
6.    

ivn-mus LDLo:5 mg/kg

     CNREA8    Cancer Research. 36 (1976),2423.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Poison by intravenous and intraperitoneal routes. Questionable carcinogen with experimental neoplastigenic data. Experimental reproductive effects. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx and HCl.
Hazard Codes: ToxicT
Risk Statements: 68-40-23/24/25
R68: Possible risk of irreversible effects 
R40: Limited evidence of a carcinogenic effect 
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed
Safety Statements: 45-36/37/39-22 
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible) 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
S22: Do not breathe dust
RIDADR: 2811
HazardClass: 6.1(b)
PackingGroup: III

Specification

 Acridine mustard (CAS NO.146-59-8) is also called 6-Chloro-9-[3-n-(2-chloroethyl)ethylamino]propylamino-2-methoxyacridine 2 HCl ; 6-Chloro-9-[3-n-(2-chloroethyl)ethylamino]propylamino-2-methoxyacridine dihydrochloride ; 1,3-Propanediamine,n-(2-chloroethyl)-n'-(6-chloro-2-methoxy-9-acridinyl)-n-e ; 6-Chloro-9-(3-(ethyl-2-chloroethyl)aminopropylamino)-2-methoxyacridinedihydr ; 6-Chloro-9-(3-(n-(2-chloroethyl)-n-ethylamino)propylamino)-2-methoxy-acridin ; 9-(3-(ethyl(2-chloroethyl)amino)propylamino)-6-chloro-2-methoxyacridinedihyd . Acridine mustard (CAS NO.146-59-8)  is high toxic. It is combustible. It will emit toxic nitrogen oxides and hydrogen chloride fumes by heat. So the storage environment should be ventilate, low-temperature and dry.