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Basic Information
CAS No.: 35364-99-9
Name: (chloromethoxymethyl)benzene
Article Data: 23
Molecular Structure:
Molecular Structure of 35364-99-9 ((chloromethoxymethyl)benzene)
Formula: C8H9ClO
Molecular Weight: 156.612
Synonyms: Ether, a-chlorobenzyl methyl (6CI);(Chloromethoxymethyl)benzene;a-Chloro-a-methoxytoluene;a-Chlorobenzyl methyl ether;a-Methoxybenzyl chloride;
EINECS: 252-527-2
Density: 1.118 g/cm3
Boiling Point: 207.1 ºC at 760 mmHg
Flash Point: 91.1 ºC
PSA: 9.23000
LogP: 2.57040
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Specification

The IUPAC name of (Chloromethoxymethyl)benzene is Chloromethoxymethylbenzene. With the CAS registry number 35364-99-9, it is also named as Benzene,(chloromethoxymethyl)-. In addition, its molecular formula is C8H9ClO and its molecular weight is 156.61. 

The other characteristics of (Chloromethoxymethyl)benzene can be summarized as: (1)EINECS: 252-527-2; (2)ACD/LogP: 2.32; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.32; (5)ACD/LogD (pH 7.4): 2.32; (6)ACD/BCF (pH 5.5): 33.85; (7)ACD/BCF (pH 7.4): 33.85; (8)ACD/KOC (pH 5.5): 432.99; (9)ACD/KOC (pH 7.4): 432.99; (10)H bond acceptors: 1; (11)H bond donors: 0; (12)Freely Rotating Bonds: 3; (13)Polar Surface Area: 9.23 Å2; (14)Index of Refraction: 1.517; (15)Molar Refractivity: 42.39 cm3; (16)Molar Volume: 139.9 cm3; (17)Polarizability: 16.8×10-24cm3; (18)Surface Tension: 35.6 dyne/cm; (19)Density: 1.118 g/cm3; (20)Flash Point: 91.1 °C; (21)Enthalpy of Vaporization: 42.52 kJ/mol; (22)Boiling Point: 207.1 °C at 760 mmHg; (23)Vapour Pressure: 0.33 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:ClCOCc1ccccc1
(2)InChI:InChI=1/C8H9ClO/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6-7H2
(3)InChIKey:LADPCMZCENPFGV-UHFFFAOYAH
(4)Std. InChI:InChI=1S/C8H9ClO/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6-7H2
(5)Std. InChIKey:LADPCMZCENPFGV-UHFFFAOYSA-N