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15442-77-0

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Basic Information
CAS No.: 15442-77-0
Name: Bis(3,4-dichlorobenzoic acid)nickel(II) salt
Molecular Structure:
Molecular Structure of 15442-77-0 (Bis(3,4-dichlorobenzoic acid)nickel(II) salt)
Formula: C7H4 Cl2 O2 . 1/2 Ni
Molecular Weight: 438.71
Synonyms: Benzoicacid, 3,4-dichloro-, nickel(2+) salt (8CI)
Boiling Point: 317.8°C at 760 mmHg
Flash Point: 146°C
Safety: Confirmed human carcinogen. Poison by intravenous route. See also NICKEL COMPOUNDS and CHLORIDES. When heated to decomposition it emits toxic fumes of Cl−.
PSA: 37.30000
LogP: 2.69160
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Chemistry

Product Name: Bis(3,4-dichlorobenzoato)nickel (CAS NO.15442-77-0)


Molecular Formula: C14H6Cl4NiO4
Molecular Weight: 438.71g/mol
Mol File: 15442-77-0.mol
Boiling point: 317.8 °C at 760 mmHg
Flash Point:  146 °C 
Enthalpy of Vaporization: 59.04 kJ/mol
Vapour Pressure: 0.000157 mmHg at 25°C
XLogP3-AA:
H-Bond Donor: 0
H-Bond Acceptor: 4
IUPAC Name: 3,4-dichlorobenzoate; nickel(2+)
Canonical SMILES: C1=CC(=C(C=C1C(=O)[O-])Cl)Cl.C1=CC(=C(C=C1C(=O)[O-])Cl)Cl.[Ni+2]
InChI: InChI=1S/2C7H4Cl2O2.Ni/c2*8-5-2-1-4(7(10)11)3-6(5)9;/h2*1-3H,(H,10,
11);/q;;+2/p-2 
InChIKey: IFYJFYNTDJLOGB-UHFFFAOYSA-L

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03268,

Consensus Reports

NTP 10th Report on Carcinogens. Nickel and its compounds are on the Community Right-To-Know List.

Safety Profile

Confirmed human carcinogen. Poison by intravenous route. See also NICKEL COMPOUNDS and CHLORIDES. When heated to decomposition it emits toxic fumes of Cl−.

Standards and Recommendations

OSHA PEL: TWA 0.1 mg (Ni)/m3
ACGIH TLV: TWA 0.2 mg(Ni)/m3; Human Carcinogen)
NIOSH REL: (Inorganic Nickel) TWA 0.015 mg(Ni)/m3

Specification

 Bis(3,4-dichlorobenzoato)nickel ,its CAS NO. is 15442-77-0,the synonyms is NSC 408666 ; Nickel, bis(3,4-dichlorobenzoato)-  ; Benzoic acid, 3,4-dichloro-, nickel(2+) salt (8CI) .