CAS No.41870-52-4,2-Methylbenzhydryl chloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	41870-52-4
Name:	2-Methylbenzhydryl chloride
Article Data:	5

Formula:	C₁₄H₁₃Cl
Molecular Weight:	216.71
Synonyms:	Methane,chlorophenyl-o-tolyl- (6CI,7CI);
EINECS:	431-450-1
Density:	1.099 g/cm³
Melting Point:	40 °C
Boiling Point:	313.859 °C at 760 mmHg
Flash Point:	138.551 °C
Hazard Symbols:	Xi
Risk Codes:	R36/37/38
PSA:	0.00000
LogP:	4.32320

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Specification

The 2-Methylbenzhydryl chloride is an organic compound with the formula C₁₄H₁₃Cl. The systematic name of this chemical is 1-[chloro(phenyl)methyl]-2-methylbenzene. With the CAS registry number 41870-52-4, it is also named as benzene, 1-(chlorophenylmethyl)-2-methyl-. Additionally, this chemical must be avoided direct sunshine.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 1341; (6)ACD/BCF (pH 7.4): 1341; (7)ACD/KOC (pH 5.5): 6030; (8)ACD/KOC (pH 7.4): 6030; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 ?2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 65.244 cm³; (15)Molar Volume: 197.243 cm³; (16)Polarizability: 25.865×10^-24 cm³; (17)Surface Tension: 39.051 dyne/cm ; (18)Flash Point: 138.551 °C; (19)Enthalpy of Vaporization: 53.285 kJ/mol; (20)Boiling Point: 313.859 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:ClC(c1ccccc1)c2ccccc2C
2. InChI:InChI=1/C14H13Cl/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-10,14H,1H3
3. InChIKey:VTZTUKIBJQCCMO-UHFFFAOYAF