(S)-4-Fluoro-α-methylbenzyl alcohol - CAS 101219-73-2

Name: (S)-4-Fluoro-α-methylbenzyl alcohol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB000471
Product Name:	(S)-4-Fluoro-α-methylbenzyl alcohol
CAS:	101219-73-2
Synonyms:	(1S)-1-(4-fluorophenyl)ethanol

Technical Data

IUPAC Name:	(1S)-1-(4-fluorophenyl)ethanol
Description:	(S)-4-Fluoro-α-methylbenzyl alcohol (CAS# 101219-73-2) is a building blocked used in organic synthesis such as in the preparation of novel inhibitors of neurotropic alphavirus replication improving survival in mammals suffering from acute viral encephalitis.
Molecular Weight:	140.15
Molecular Formula:	C8H9FO
Canonical SMILES:	CC(C1=CC=C(C=C1)F)O
InChI:	InChI=1S/C8H9FO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3/t6-/m0/s1
InChI Key:	PSDSORRYQPTKSV-LURJTMIESA-N
Boiling Point:	216.2 °C at 760 mmHg
Purity:	≥ 98 %, ≥ 95 % e.e.
Density:	1.111 g/cm³
MDL:	MFCD03092998
LogP:	1.87900

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
EP-3814348-A1	Substituted naphthyridinone compounds useful as t cell activators	20180627
KR-102103768-B1	Optically active 2-amino-4-alkoxypyrimidnes derivatives as 5-HT2C agonists	20180404
KR-20190115976-A	Optically active 2-amino-4-alkoxypyrimidnes derivatives as 5-HT2C agonists	20180404
CN-108101741-B	Method for synthesizing chiral alcohol by alkyne hydration/asymmetric hydrogenation tandem	20171205
US-10654846-B2	Autotaxin inhibitory compounds	20150206

Complexity:	97.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	140.063743068
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	140.063743068
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5