Basic Information | Post buying leads | Suppliers |
Name |
Acridine mustard |
EINECS | N/A |
CAS No. | 146-59-8 | Density | g/cm3 |
PSA | 37.39000 | LogP | 7.08970 |
Solubility | N/A | Melting Point |
231-232 °C
|
Formula | C21H25 Cl2 N3 O . 2 Cl H | Boiling Point | 546.9°Cat760mmHg |
Molecular Weight | 479.31 | Flash Point | 284.5°C |
Transport Information | N/A | Appearance | N/A |
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. | Risk Codes | 68-40-23/24/25 |
Molecular Structure | Hazard Symbols | ||
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 |
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
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. |
EPA Genetic Toxicology Program.
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: T
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
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.