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72596-02-2

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Basic Information
CAS No.: 72596-02-2
Name: (1,2-diamino-4-nitrobenzene)dichloroplatinum(II)
Molecular Structure:
Molecular Structure of 72596-02-2 ((1,2-diamino-4-nitrobenzene)dichloroplatinum(II))
Formula: C6H7 Cl2 N3 O2 Pt
Molecular Weight: 419.15
Synonyms: 1,2-Benzenediamine,4-nitro-, platinum complex; NSC 283431; cis-(1,2-Diamino-4-nitrobenzene)dichloroplatinum(II)
Boiling Point: 421.1°C at 760 mmHg
Flash Point: 208.5°C
Safety: Mutation data reported. See also PLATINUM COMPOUNDS and NITRO COMPOUNDS of AROMATIC HYDROCARBONS. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
PSA: 69.88000
LogP: 3.52290
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Chemistry

Molecule structure of Dichloro(4-nitro-o-phenylenediammine)platinum (II) (CAS NO.72596-02-2):

IUPAC Name: 4-Nitrobenzene-1,2-diamine; platinum(2+); dichloride 
Molecular Weight: 419.12268 g/mol
Molecular Formula: C6H7Cl2N3O2Pt 
Boiling Point: 421.1 °C at 760 mmHg
Flash Point: 208.5 °C
Enthalpy of Vaporization: 67.51 kJ/mol
Vapour Pressure: 2.68E-07 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 6
Exact Mass: 417.956306
MonoIsotopic Mass: 417.956306
Topological Polar Surface Area: 95.2
Heavy Atom Count: 14
Complexity: 156
Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])N)N.[Cl-].[Cl-].[Pt+2]
InChI: InChI=1S/C6H7N3O2.2ClH.Pt/c7-5-2-1-4(9(10)11)3-6(5)8;;;/h1-3H,7-8H2;2*1H;/q;;;+2/p-2
InChIKey of Dichloro(4-nitro-o-phenylenediammine)platinum (II) (CAS NO.72596-02-2): XFNNVUOCEMBMDC-UHFFFAOYSA-L

Toxicity Data With Reference

1.    

mmo-sat 2 nmol/L

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

Safety Profile

Mutation data reported. See also PLATINUM COMPOUNDS and NITRO COMPOUNDS of AROMATIC HYDROCARBONS. When heated to decomposition it emits very toxic fumes of Cl− and NOx.

Specification

 Dichloro(4-nitro-o-phenylenediammine)platinum (II) (CAS NO.72596-02-2) is also named as (1,2-Diamino-4-nitrobenzene)dichloroplatinum(II) ; Platinum (II), dichloro(4-nitro-o-phenylenediammine)- .