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63886-77-1

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Basic Information
CAS No.: 63886-77-1
Name: 2,4,5,6-tetrafluorobenzene-1,3-diamine dihydrochloride
Molecular Structure:
Molecular Structure of 63886-77-1 (2,4,5,6-tetrafluorobenzene-1,3-diamine dihydrochloride)
Formula: C6H4 F4 N2 . 2 Cl H
Molecular Weight: 253.04
Synonyms: 1,3-Benzenediamine,2,4,5,6-tetrafluoro-, dihydrochloride (9CI)
Boiling Point: 223.4°C at 760 mmHg
Flash Point: 95.9°C
Safety: Poison by intraperitoneal route. Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits very toxic fumes of F−, NOx, and HCl.
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Chemistry

Empirical Formula of Dihydrochloride (CAS NO.63886-77-1): C6H6Cl2F4N2
Molecular Weight: 253.0249 g/mol
Flash Point: 95.9 °C
Enthalpy of Vaporization: 45.99 kJ/mol
Boiling Point: 223.4 °C at 760 mmHg
Vapour Pressure: 0.0964 mmHg at 25 °C
Structure of Dihydrochloride (CAS NO.63886-77-1):
                     
IUPAC Name: 2,4,5,6-Tetrafluorobenzene-1,3-diamine dihydrochloride
Canonical SMILES: C1(=C(C(=C(C(=C1F)F)F)N)F)N.Cl.Cl
InChI: InChI=1S/C6H4F4N2.2ClH/c7-1-2(8)5(11)4(10)6(12)3(1)9;;/h11-12H2;2*1H
InChIKey: QYRFJLLXPINATB-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-mus TDLo:65 g/kg/78W-C:CAR

     JEPTDQ    Journal of Environmental Pathology and Toxicology. 2 (1978),325.
2.    

ipr-rat LD50:270 mg/kg

     NCIBR*    Progress Report for Contract No. NIH-NCI-E-68-1311, Submitted to the National Cancer Institute by Bio-Research Consultants, Inc. (9 Commercial Ave., Cambridge, MA 02141) NIH-NCI-E-68-1311,10 ,1973.

Safety Profile

Poison by intraperitoneal route. Questionable carcinogen with experimental carcinogenic data. When heated to decomposition Dihydrochloride (CAS NO.63886-77-1) emits very toxic fumes of F−, NOx, and HCl.

Specification

 Dihydrochloride , its cas register number is 63886-77-1. It also can be called m-Phenylenediamine, tetrafluoro-, dihydrochloride ; and Tetrafluoro-m-phenylene diamine dihydrochloride .