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33663-41-1

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Basic Information
CAS No.: 33663-41-1
Name: 2,5-Dichloroanilinium chloride
Molecular Structure:
Molecular Structure of 33663-41-1 (2,5-Dichloroanilinium chloride)
Formula: C6H6Cl3N
Molecular Weight: 198.479
Synonyms: 2,5-dichloroaniline hydrochloride;
EINECS: 251-620-5
Density: 1.28g/cm3 at 20℃
Boiling Point: 251 °C at 760 mmHg
Flash Point: 100.4 °C
PSA: 26.02000
LogP: 3.95880
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Specification

The CAS register number of 2,5-Dichloroanilinium chloride is 33663-41-1. It also can be called as 2,5-dichloroaniline hydrochloride and the systematic name about this chemical is 2,5-dichloroaniline hydrochloride (1:1). The molecular formula about this chemical is C6H6Cl3N and the molecular weight is 198.47754.

Physical properties about 2,5-Dichloroanilinium chloride are: (1)ACD/LogP: 2.72; (2)ACD/LogD (pH 5.5): 2.71; (3)ACD/LogD (pH 7.4): 2.71; (4)ACD/BCF (pH 5.5): 68.1; (5)ACD/BCF (pH 7.4): 68.11; (6)ACD/KOC (pH 5.5): 714.1; (7)ACD/KOC (pH 7.4): 714.18; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 3.24 Å2; (12)Flash Point: 100.4 °C; (13)Enthalpy of Vaporization: 48.83 kJ/mol; (14)Boiling Point: 251 °C at 760 mmHg; (15)Vapour Pressure: 0.021 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(Cl)c(N)c1.Cl
(2)InChI: InChI=1/C6H5Cl2N.ClH/c7-4-1-2-5(8)6(9)3-4;/h1-3H,9H2;1H
(3)InChIKey: ZALVJCYWUBQENP-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C6H5Cl2N.ClH/c7-4-1-2-5(8)6(9)3-4;/h1-3H,9H2;1H
(5)Std. InChIKey: ZALVJCYWUBQENP-UHFFFAOYSA-N