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CAS No.: | 14503-45-8 |
---|---|
Name: | 3-Chloro-4-methoxybenzyl alcohol |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C8H9ClO2 |
Molecular Weight: | 172.611 |
Synonyms: | Benzylalcohol, 3-chloro-4-methoxy- (8CI);3-Chloro-4-methoxybenzyl alcohol;3-Chloro-4-methoxyphenylmethanol;(3-Chloro-4-methoxyphenyl)methanol; |
Density: | 1.239 g/cm3 |
Boiling Point: | 279.7 °C at 760 mmHg |
Flash Point: | 123 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-36 |
Safety: | 26 |
PSA: | 29.46000 |
LogP: | 1.84090 |
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The Benzenemethanol,3-chloro-4-methoxy-, with the CAS registry number 14503-45-8, is also known as 3-Chloro-4-methoxybenzyl alcohol. It belongs to the product categories of Alcohols; Anisoles, Alkyloxy Compounds & Phenylacetates; Chlorine Compounds. This chemical's molecular formula is C8H9ClO2 and molecular weight is 172.61. What's more, its systematic name is (3-chloro-4-methoxyphenyl)methanol.
Physical properties of Benzenemethanol,3-chloro-4-methoxy- are: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.548; (8)Molar Refractivity: 44.27 cm3; (9)Molar Volume: 139.2 cm3; (10)Polarizability: 17.55×10-24cm3; (11)Surface Tension: 41.5 dyne/cm; (12)Density: 1.239 g/cm3; (13)Flash Point: 123 °C; (14)Enthalpy of Vaporization: 54.76 kJ/mol; (15)Boiling Point: 279.7 °C at 760 mmHg; (16)Vapour Pressure: 0.00188 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(ccc1OC)CO
(2)InChI: InChI=1S/C8H9ClO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4,10H,5H2,1H3
(3)InChIKey: TZHJVLGDHRXGDX-UHFFFAOYSA-N