4-Chlorobenzhydrylamine hydrochloride supplier

Name
4-Chlorobenzhydrylamine hydrochloride
EINECS 226-085-6
CAS No. 5267-39-0
Article Data3
CAS DataBase
Density 1.175g/cm3
Solubility
Melting Point 300-305 °C (dec.)(lit.)
Formula C₁₃H₁₂ClN^.HCl
Boiling Point 336.8 °C at 760 mmHg
Molecular Weight 254.159
Flash Point 199.3 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Benzenemethanamine,4-chloro-a-phenyl-, hydrochloride (9CI);Benzylamine, p-chloro-a-phenyl-, hydrochloride (6CI,7CI,8CI);4-Chlorobenzhydrylaminehydrochloride;NSC 23816;p-Chloro-a-phenylbenzylamine hydrochloride;
PSA 26.02000
LogP 4.89040

4-Chlorobenzhydrylamine hydrochloride Specification

The Benzenemethanamine,4-chloro-a-phenyl-, hydrochloride (1:1), with CAS registry number 5267-39-0, has the systematic name of (4-chlorophenyl)(phenyl)methanaminium chloride. Besides this, it is also called p-Chloro-a-phenylbenzylamine hydrochloride. And the chemical formula of this chemical is C₁₃H₁₂ClN^.HCl. What's more, its EINECS is 226-085-6.

Physical properties of Benzenemethanamine,4-chloro-a-phenyl-, hydrochloride (1:1): (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.73; (4)ACD/LogD (pH 7.4): 2.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 22.39; (7)ACD/KOC (pH 5.5): 3.65; (8)ACD/KOC (pH 7.4): 167.78; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å²; (13)Flash Point: 199.3 °C; (14)Enthalpy of Vaporization: 58 kJ/mol; (15)Boiling Point: 336.8 °C at 760 mmHg; (16)Vapour Pressure: 0.000109 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].Clc1ccc(cc1)C(c2ccccc2)[NH3+]
(2)InChI: InChI=1/C13H12ClN.ClH/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;/h1-9,13H,15H2;1H
(3)InChIKey: UHPRBUXOILBKFH-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C13H12ClN.ClH/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;/h1-9,13H,15H2;1H
(5)Std. InChIKey: UHPRBUXOILBKFH-UHFFFAOYSA-N

Product Name

4-Chlorobenzhydrylamine hydrochloride

4-Chlorobenzhydrylamine hydrochloride Specification

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