(R)-3-Chloro-1-phenyl-1-propanol - CAS 100306-33-0

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

Catalog:	BB000165
Product Name:	(R)-3-Chloro-1-phenyl-1-propanol
CAS:	100306-33-0
Synonyms:	(1R)-3-chloro-1-phenyl-1-propanol; (1R)-3-chloro-1-phenylpropan-1-ol

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Computed Properties

IUPAC Name:	(1R)-3-chloro-1-phenylpropan-1-ol
Description:	Intermediate in the preparation of (S)-Norfluoxetine.
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-/m1/s1
InChI Key:	JZFUHAGLMZWKTF-SECBINFHSA-N
Boiling Point:	296.4 °C at 760 mmHg
Density:	1.149 g/cm³
Appearance:	Off-white cryst
Storage:	Inert atmosphere, Room Temperature
MDL:	MFCD00075128
LogP:	2.34890

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Related Functional Groups

Alcohols and Derivatives

[58287-18-6]C8H9NO3
(1R)-1-(4-Nitrophenyl)ethanol
[108100-06-7]C9H12O2
(S)-1-(2-Methoxyphenyl)ethanol
[64437-48-5]C16H32O
(Z)-10-Hexadecenol
[1448610-48-7]C11H13BrO
1-(4-Bromo-3-methylphenyl)cyclobutanol
[18621-17-5]C16H17NO
1-Benzhydrylazetan-3-ol
[4780-79-4]C11H10O
1-Naphthalenemethanol

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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
WO-2021160134-A1	Preparation method for and crystal form of 3-aryloxy-3-five-membered heteroaryl-propylamine compound	20200214
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
KR-20200111644-A	Heteroaryl derivatives, preparation method the same, and pharmaceutical composition comprising the same as an active ingredient	20190319

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