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57948-13-7

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Basic Information
CAS No.: 57948-13-7
Name: dichloroplatinum(2+) (4-methylbenzene-1,2-diyl)diazanide
Molecular Structure:
Molecular Structure of 57948-13-7 (dichloroplatinum(2+) (4-methylbenzene-1,2-diyl)diazanide)
Formula: C7H10Cl2N2Pt
Molecular Weight: 388.156
Density: g/cm3
Boiling Point: 262.3°Cat760mmHg
Flash Point: 132.1°C
Safety: Poison by intraperitoneal route. Mutation data reported. See also PLATINUM COMPOUNDS. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
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Chemistry

Molecule structure of Dichloro(4-methyl-o-phenylenediammine)platinum(II) (CAS NO.57948-13-7):

IUPAC Name: 4-Methylbenzene-1,2-diamine; platinum(2+); dichloride 
Molecular Weight: 388.1517 g/mol
Molecular Formula: C7H10Cl2N2Pt 
Boiling Point: 262.3 °C at 760 mmHg
Flash Point: 132.1 °C
Enthalpy of Vaporization: 50.01 kJ/mol
Vapour Pressure: 0.011 mmHg at 25 °C 
log P (octanol-water): -0.06 (none) 
Water Solubility: 4080 mg/L 
H-Bond Donor: 2
H-Bond Acceptor: 4
Exact Mass: 386.986878
MonoIsotopic Mass: 386.986878
Topological Polar Surface Area: 52
Heavy Atom Count: 12
Complexity: 92.9
Canonical SMILES: CC1=CC(=C(C=C1)N)N.[Cl-].[Cl-].[Pt+2]
InChI: InChI=1S/C7H10N2.2ClH.Pt/c1-5-2-3-6(8)7(9)4-5;;;/h2-4H,8-9H2,1H3;2*1H;/q;;;+2/p-2
InChIKey of Dichloro(4-methyl-o-phenylenediammine)platinum(II) (CAS NO.57948-13-7): FBFBPYHQRCJQLQ-UHFFFAOYSA-L

Toxicity Data With Reference

1.    

mmo-sat 2500 nmol/L

     JMCMAR    Journal of Medicinal Chemistry. 23 (1980),459.
2.    

ipr-mus LD50:23 mg/kg

     RCRVAB    Russian Chemical Reviews. 50 (1981),353.

Safety Profile

Poison by intraperitoneal route. Mutation data reported. See also PLATINUM COMPOUNDS. When heated to decomposition it emits very toxic fumes of Cl− and NOx.

Specification

 Dichloro(4-methyl-o-phenylenediammine)platinum(II) (CAS NO.57948-13-7) is also named as Platinum diaminotoluene ; Platinum (II), dichloro(4-methyl-o-phenylenediammine)- ; Platinum, dichloro(4-methyl-1,2-benzenediamine-N,N')-, (SP-4-3)- .