(S)-3-Chloro-1-phenyl-1-propanol - CAS 100306-34-1

Name: (S)-3-Chloro-1-phenyl-1-propanol
Brand: BOC Sciences
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Catalog:	BB000166
Product Name:	(S)-3-Chloro-1-phenyl-1-propanol
CAS:	100306-34-1
Synonyms:	(1S)-3-chloro-1-phenyl-1-propanol; (1S)-3-chloro-1-phenylpropan-1-ol

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Computed Properties

IUPAC Name:	(1S)-3-chloro-1-phenylpropan-1-ol
Description:	(S)-3-Chloro-1-phenyl-1-propanol (CAS# 100306-34-1) is a compound useful in organic synthesis.
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/t9-/m0/s1
InChI Key:	JZFUHAGLMZWKTF-VIFPVBQESA-N
Boiling Point:	296 °C
Density:	1.149 g/cm³
Appearance:	White to light yellow crystal powde
Storage:	Inert atmosphere, Room Temperature
MDL:	MFCD00013309
LogP:	2.34890

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Related Functional Groups

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[112256-09-4]C8H12O
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[2006278-33-5]C16H16O2
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[6712-35-2]C11H12O
2-Phenyl-4-pentyn-2-ol

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2021197182-A1	Chiral catalyst and heterogeneous chiral catalyst comprising the same	20191230
KR-20200133188-A	Heterocycle-fused pyrimidine derivatives and use thereof	20190517
WO-2020235902-A1	Heterocycle-fused pyrimidine derivative and use thereof	20190517
WO-2020228789-A1	3-aryloxyl-3-five-membered heteroaryl propylamine compound, and crystal form and use thereof	20190516
CN-111943943-A	3-aryloxy-3-pentabasic heteroaryl-propylamine compound and crystal form and application thereof	20190516

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

Complexity:	99.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2