3-Chloro-1-phenyl-1-propanol - CAS 18776-12-0

Name: 3-Chloro-1-phenyl-1-propanol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB014440
Product Name:	3-Chloro-1-phenyl-1-propanol
CAS:	18776-12-0
Synonyms:	Benzenemethanol, α-(2-chloroethyl)-; rac 3-Chloro-1-phenylpropanol; α-(2-Chloroethyl)benzenemethanol; Benzyl alcohol, α-(2-chloroethyl)-; (±)-3-Chloro-1-phenyl-1-propanol; 3-Chloro-1-phenyl-1-propanol; α-(2-Chloroethyl)benzyl alcohol

Technical Data

Related CAS:	125712-82-5 (Deleted CAS)
IUPAC Name:	3-chloro-1-phenylpropan-1-ol
Molecular Weight:	170.64
Molecular Formula:	C9H11ClO
Canonical SMILES:	C1=CC=C(C=C1)C(CCCl)O
InChI:	InChI=1S/C9H11ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2
InChI Key:	JZFUHAGLMZWKTF-UHFFFAOYSA-N
Boiling Point:	130-132°C
Melting Point:	30-32°C
Purity:	95%
Density:	1.1344 g/cm3
Solubility:	Soluble in Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
Appearance:	White to Off-white Waxy Solid to Solid
Storage:	Store at 2-8°C
MDL:	MFCD09878800
LogP:	2.34890

GHS Hazard Statement:	H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-110194719-B	Preparation method of R- (-) -atomoxetine hydrochloride	20190612
WO-2020228789-A1	3-aryloxyl-3-five-membered heteroaryl propylamine compound, and crystal form and use thereof	20190516
WO-2020035040-A1	3-aryloxyl-3-five-membered heteroaryl propylamine compound and use thereof	20180817
EP-3838899-A1	3-aryloxyl-3-five-membered heteroaryl propylamine compound and use thereof	20180817
WO-2020028396-A1	Chirality sensing with molecular click chemistry probes	20180730

PMID	Publication Date	Title	Journal
20111861	20100601	Asymmetric synthesis of (S)-3-chloro-1-phenyl-1-propanol using Saccharomyces cerevisiae reductase with high enantioselectivity	Applied microbiology and biotechnology
19633816	20091201	Asymmetric reduction of (S)-3-chloro-1-phenylpropanol from 3-chloropropiophenone by preheated immobilized Candida utilis	Biotechnology letters
16236290	20060106	Adsorption of the enantiomers of 3-chloro-1-phenyl-propanol on silica-bonded chiral quinidine carbamate	Journal of chromatography. A
16395788	20051014	Chromatographic separation of phenylpropanol enantiomers on a quinidine carbamate-type chiral stationary phase	Journal of chromatography. A
11748796	20020101	Enantiopure building blocks for chiral drugs from racemic mixtures of secondary alcohols by combination of lipase catalysis and Mitsunobu esterification	Chirality

Complexity:	99.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.0498427
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	170.0498427
Rotatable Bond Count:	3
Topological Polar Surface Area:	20.2 ?²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2