Name: 2-CHLORO-3-METHOXYPHENOL
SKU: 72232-49-6

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Basic Information

Molecular Structure:
CAS No.:	72232-49-6
Name:	2-CHLORO-3-METHOXYPHENOL
Article Data:	3

Formula:	C₇H₇ClO₂
Molecular Weight:	158.584
Synonyms:	2-Chloro-3-methoxyphenol;
Density:	1.28 g/cm³
Boiling Point:	241.1 °C at 760 mmHg
Flash Point:	99.6 °C
Risk Codes:	41
Safety:	26-39
PSA:	29.46000
LogP:	2.05420

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Specification

The chemical with CAS registry number of 72232-49-6 is also known as Phenol,2-chloro-3-methoxy-. The systematic name is 2-chloro-3-methoxyphenol. In addition, the formula is C₇H₇ClO₂ and the molecular weight is 158.58.

Physical properties of Phenol,2-chloro-3-methoxy-: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 20.2; (6)ACD/BCF (pH 7.4): 16.99; (7)ACD/KOC (pH 5.5): 299.05; (8)ACD/KOC (pH 7.4): 251.45; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.46 Å²; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 39.7 cm³; (15)Molar Volume: 123.8 cm³; (16)Polarizability: 15.74×10^-24cm³; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.28 g/cm³; (19)Flash Point: 99.6 °C; (20)Enthalpy of Vaporization: 49.74 kJ/mol; (21)Boiling Point: 241.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0237 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cccc(O)c1Cl
(2)InChI: InChI=1/C7H7ClO2/c1-10-6-4-2-3-5(9)7(6)8/h2-4,9H,1H3
(3)InChIKey: QGLVWTFUWVTDEQ-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C7H7ClO2/c1-10-6-4-2-3-5(9)7(6)8/h2-4,9H,1H3
(5)Std. InChIKey: QGLVWTFUWVTDEQ-UHFFFAOYSA-N