3-(4-Chlorophenyl)-1-propanol - CAS 6282-88-8

Catalog:	BB031827
Product Name:	3-(4-Chlorophenyl)-1-propanol
CAS:	6282-88-8
Synonyms:	3-(4-chlorophenyl)-1-propanol; 3-(4-chlorophenyl)propan-1-ol

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Computed Properties

IUPAC Name:	3-(4-chlorophenyl)propan-1-ol
Description:	3-(4-Chlorophenyl)-1-propanol (CAS# 6282-88-8) is used in preparation of 2-Oxo-2H-chromene-3-carboxylic Acid Amide derivatives as Aldo-Keto reductase inhibitors.
Molecular Weight:	170.64
Molecular Formula:	C9H11ClO
Canonical SMILES:	C1=CC(=CC=C1CCCO)Cl
InChI:	InChI=1S/C9H11ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,1-2,7H2
InChI Key:	ZHBIWFGGIKFSHZ-UHFFFAOYSA-N
Boiling Point:	270.7 °C at 760 mmHg / 104 °C 0.1 mmHg
Density:	1.151 g/cm³
MDL:	MFCD00831102
LogP:	2.26490

Publication Number	Title	Priority Date
CN-110804026-A	Synthesis method of 1- (3- (3- (4-chlorphenyl) propoxy) propyl) piperidine hydrochloride	20191118
WO-2021023634-A1	PROCESS FOR THE SYNTHESIS OF PITOLISANT HCl	20190805
TW-201819360-A	Anthraquinone derivative as a glycoside receptor antagonist	20160906
WO-2017207813-A1	Heteroaryl-carboxylic acids as histone demethylase inhibitors	20160603
WO-2017082924-A1	Peptide and peptide mimetic binding antagonists of polo-like kinase 1 polo box domain and methods of use	20151113

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GHS Hazard Statement:	H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	97.7
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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2