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(αS)-2,6-Dichloro-3-fluoro-α-methylbenzenemethanol

(αS)-2,6-Dichloro-3-fluoro-α-methylbenzenemethanol structure

CAS No:
877397-65-4
Formula:
C8H7Cl2FO
Chemical Name:
(αS)-2,6-Dichloro-3-fluoro-α-methylbenzenemethanol
Synonyms:
Benzenemethanol,2,6-dichloro-3-fluoro-α-methyl-,(αS)-;(αS)-2,6-Dichloro-3-fluoro-α-methylbenzenemethanol;(1S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol;(S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol;(1S)-1-(2,6-Dichloro-3-fluorophenyl)ethan-1-ol;(1S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol;(1S)-1-(2,6-Dichloro-3-fluorophenyl)ethan-1-ol
Categories:
Pharmaceutical Intermediates > Antineoplastics

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(αS)-2,6-Dichloro-3-fluoro-α-methylbenzenemethanol Basic Attributes

Molecular Weight：

209.04

Exact Mass：

209.04

EC Number：

1308068-626-2

DSSTox ID：

DTXSID90468534

HScode：

2906299090

Characteristics

PSA：

20.2

XLogP3：

2.8

Appearance：

White Solid

Density：

1.4±0.1 g/cm3

Boiling Point：

261.329ºC at 760 mmHg

Flash Point：

111.8±25.9 °C

Refractive Index：

1.547

Safety Information

Hazard category：

IRRITANT

Precautionary statement(s)：

P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P322, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H312

GHS Classification：

|Danger|H312 (66.67%): Harmful in contact with skin [Warning Acute toxicity, dermal]|P261, P264, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P322, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

(αS)-2,6-Dichloro-3-fluoro-α-methylbenzenemethanol Use and Manufacturing

(S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol is an intermediate in the synthetic preparation of Crizotinib (C785000),a potent and selective dual inhibitor of mesenchymal-epithelial transition factor (c-MET) kinase and anaplastic lymphoma kinase (ALK). Crizotinib is a potential antitumor agent.

Computed Properties

Molecular Weight:209.04
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:207.9857984
Monoisotopic Mass:207.9857984
Topological Polar Surface Area:20.2
Heavy Atom Count:12
Complexity:156
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (αS)-2,6-Dichloro-3-fluoro-α-methylbenzenemethanol

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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(αS)-2,6-Dichloro-3-fluoro-α-methylbenzenemethanol

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