4-Chloro-3-fluorobenzyl Alcohol - CAS 202925-10-8

Catalog:	BB015777
Product Name:	4-Chloro-3-fluorobenzyl Alcohol
CAS:	202925-10-8
Synonyms:	(4-chloro-3-fluorophenyl)methanol; (4-chloro-3-fluorophenyl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(4-chloro-3-fluorophenyl)methanol
Description:	4-Chloro-3-fluorobenzyl Alcohol (CAS# 202925-10-8) is a useful research chemical.
Molecular Weight:	160.57
Molecular Formula:	C7H6ClFO
Canonical SMILES:	C1=CC(=C(C=C1CO)F)Cl
InChI:	InChI=1S/C7H6ClFO/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2
InChI Key:	JEAFLVNESBTMPU-UHFFFAOYSA-N
Boiling Point:	233.4 °C at 760 mmHg
Density:	1.344 g/cm³
Appearance:	Liquid
MDL:	MFCD00143292
LogP:	1.97140

Publication Number	Title	Priority Date
WO-2021069927-A1	Prostaglandin ep4 receptor antagonist compounds	20191009
US-2021078999-A1	Plasma kallikrein inhibitors and uses thereof	20190918
WO-2021055621-A1	Plasma kallikrein inhibitors and uses thereof	20190918
WO-2020245136-A1	Purine derivatives, as nr2b negative modulators and the use thereof as medicament, in particular for treating depressive disorders	20190604
AU-2018379438-A1	Imidazopyridine derivatives and the use thereof as medicament	20171208

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.0091207
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	160.0091207
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8