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40580-75-4

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Basic Information
CAS No.: 40580-75-4
Name: dichloroplatinum(2+) (4,5-dimethylbenzene-1,2-diyl)diazanide
Molecular Structure:
Molecular Structure of 40580-75-4 (dichloroplatinum(2+) (4,5-dimethylbenzene-1,2-diyl)diazanide)
Formula: C8H12Cl2N2Pt
Molecular Weight: 402.21
Density: g/cm3
Boiling Point: 279.6°Cat760mmHg
Flash Point: 144.9°C
Safety: Poison by intraperitoneal route. Mutation data reported. See also TIN COMPOUNDS. When heated to decomposition it emits toxic fumes of Cl−.
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Chemistry

Molecule structure of Dichloro(4,5-dimethyl-o-phenylenediamine)platinum(II) (CAS NO.40580-75-4):

IUPAC Name: 4,5-Dimethylbenzene-1,2-diamine; platinum(2+); dichloride 
Molecular Weight: 402.17828 g/mol
Molecular Formula: C8H12Cl2N2Pt 
Boiling Point: 279.6 °C at 760 mmHg
Flash Point: 144.9 °C
Enthalpy of Vaporization: 51.82 kJ/mol
Vapour Pressure: 0.00399 mmHg at 25 °C 
log P (octanol-water): -0.23 (none) 
Water Solubility: 4670 mg/L
H-Bond Donor: 2
H-Bond Acceptor: 4
Exact Mass: 401.002528
MonoIsotopic Mass: 401.002528
Topological Polar Surface Area: 52
Heavy Atom Count: 13
Complexity: 99.8
Canonical SMILES: CC1=CC(=C(C=C1C)N)N.[Cl-].[Cl-].[Pt+2]
InChI: InChI=1S/C8H12N2.2ClH.Pt/c1-5-3-7(9)8(10)4-6(5)2;;;/h3-4H,9-10H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKey of Dichloro(4,5-dimethyl-o-phenylenediamine)platinum(II) (CAS NO.40580-75-4): MFMJXUNLNPLHAO-UHFFFAOYSA-L

Toxicity Data With Reference

1.    

mmo-sat 10,200 nmol/L

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

ipr-mus LD50:283 mg/kg

     CBINA8    Chemico-Biological Interactions. 11 (1975),145.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

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

Specification

 Dichloro(4,5-dimethyl-o-phenylenediamine)platinum(II) (CAS NO.40580-75-4) is also named as Dichloro(4,5-dimethyl-2-phenylenediamine-N,N')platinum(II) ; NSC 215153 ; Platinum (II), dichloro(4,5-dimethyl-o-phenylenediammine) (Z)- ; cis-Dichloro(4,5-dimethyl-o-phenylenediammine)platinum (II) ; Platinum(II), dichloro(4,5-dimethyl-o-phenylenediammine)-, (SP-4-2)- ; Platinum, dichloro(4,5-dimethyl-1,2-benzenediamine-N,N')-, (SP-4-2)- (9CI) .