4-Bromobenzenepropanol - CAS 25574-11-2

Catalog:	BB018958
Product Name:	4-Bromobenzenepropanol
CAS:	25574-11-2
Synonyms:	3-(4-bromophenyl)-1-propanol; 3-(4-bromophenyl)propan-1-ol

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Computed Properties

IUPAC Name:	3-(4-bromophenyl)propan-1-ol
Description:	4-Bromobenzenepropanol (CAS# 25574-11-2) is a useful reagent in the synthesis of dimethylmorpholine substituted daphneolone derivatives with fungicidal properties.
Molecular Weight:	215.09
Molecular Formula:	C9H11BrO
Canonical SMILES:	C1=CC(=CC=C1CCCO)Br
InChI:	InChI=1S/C9H11BrO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,1-2,7H2
InChI Key:	WODKXGCVVOOEIJ-UHFFFAOYSA-N
Boiling Point:	299.932 °C at 760 mmHg
Density:	1.411 g/cm³
MDL:	MFCD09028724
LogP:	2.37400

Publication Number	Title	Priority Date
WO-2021157684-A1	Sulfonamide or sulfinamide compound having effect of inducing brd4 protein degradation and pharmaceutical use thereof	20200206
CN-110724026-A	In-situ deoxygenation fluorination synthesis method based on alcohol compound and 18F radioactive labeling method	20191118
WO-2021036922-A1	Compound inhibiting and inducing degradation of egfr and alk	20190823
WO-2020150372-A1	Antimicrobial compounds and methods	20190116
WO-2020150385-A1	Antimicrobial compounds and methods	20190116

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GHS Hazard Statement:	H302 (97.44%): 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

Complexity:	97.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.99933
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	213.99933
Rotatable Bond Count:	3
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3