(1S)-2-Chloro-1-(3,4-difluorophenyl)ethanol - CAS 1006376-60-8

Catalog:	BB047302
Product Name:	(1S)-2-Chloro-1-(3,4-difluorophenyl)ethanol
CAS:	1006376-60-8
Synonyms:	(S)-2-Chloro-1-(3,4-difluorophenyl)ethanol; (S)-2-Chloro-1-(3,4-difluoro-phenyl)-ethanol

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	(1S)-2-chloro-1-(3,4-difluorophenyl)ethanol
Description:	(1S)-2-Chloro-1-(3,4-difluorophenyl)ethanol can be used in the synthesis of P2Y12 receptor antagonist Ticagrelor.
Molecular Weight:	192.59
Molecular Formula:	C8H7ClF2O
Canonical SMILES:	C1=CC(=C(C=C1C(CCl)O)F)F
InChI:	InChI=1S/C8H7ClF2O/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,12H,4H2/t8-/m1/s1
InChI Key:	RYOLLNVCYSUXCP-MRVPVSSYSA-N

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Flexible batch size for diverse industrial demands

Related Functional Groups

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Arenes

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Fluorinated Building Blocks

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2,4-Difluorotoluene

Halides

[859473-05-5]
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[1106917-71-8]
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[1820736-42-2]
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1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P313, P337+P317, P342+P316, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	145
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	192.0153489
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	192.0153489
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9