3-Bromophenethyl alcohol - CAS 28229-69-8

Catalog:	BB019794
Product Name:	3-Bromophenethyl alcohol
CAS:	28229-69-8
Synonyms:	2-(3-bromophenyl)ethanol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(3-bromophenyl)ethanol
Description:	3-Bromophenethyl alcohol (CAS# 28229-69-8) is a useful research chemical.
Molecular Weight:	201.06
Molecular Formula:	C8H9BrO
Canonical SMILES:	C1=CC(=CC(=C1)Br)CCO
InChI:	InChI=1S/C8H9BrO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2
InChI Key:	PTTFLKHCSZSFOL-UHFFFAOYSA-N
Boiling Point:	107-110 °C (1 torr)
Purity:	98 %
Density:	1.478 g/cm³
Appearance:	Clear colorless liquid
Storage:	Keep Cold
MDL:	MFCD00191857
LogP:	1.98390

Publication Number	Title	Priority Date
CN-111217834-A	Nitroxide derivatives of ROCK kinase inhibitors	20200221
AU-2020403705-A1	Nitroxide derivative of rock kinase inhibitor	20200221
EP-3901156-A1	Nitrooxyderivative of rock kinase inhibitor	20200221
WO-2021164351-A1	Nitrooxyderivative of rock kinase inhibitor	20200221
US-2021174983-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204

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Related Functional Groups

Alcohols and Derivatives

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Oxygen Compounds

[544-62-7]
Batyl alcohol
[1427004-19-0]
DBCO-PEG4-NHS ester
[5896-75-3]
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[861434-97-1]
3-(2-Chloro-6-methylphenoxy)-5-nitroaniline
[832740-55-3]
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GHS Hazard Statement:	H302 (100%): 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, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	95.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.98368
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	199.98368
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2