4-Bromophenethyl alcohol - CAS 4654-39-1

Catalog:	BB026152
Product Name:	4-Bromophenethyl alcohol
CAS:	4654-39-1
Synonyms:	2-(4-bromophenyl)ethanol

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-(4-bromophenyl)ethanol
Description:	4-Bromophenethyl alcohol (CAS# 4654-39-1) is a useful research chemical.
Molecular Weight:	201.06
Molecular Formula:	C8H9BrO
Canonical SMILES:	C1=CC(=CC=C1CCO)Br
InChI:	InChI=1S/C8H9BrO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2
InChI Key:	PMOSJSPFNDUAFY-UHFFFAOYSA-N
Boiling Point:	96-99 °C (0.5 mmHg)
Melting Point:	36-38 °C (lit.)
Purity:	95 %
Density:	1.436 g/cm³
Appearance:	Clear slightly yellow liquid.
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00002897
LogP:	1.98390

Publication Number	Title	Priority Date
CN-113292534-A	Preparation method of bilastine key intermediate	20210527
WO-2021175183-A1	Boron carrying agent for integrated tumor diagnosis and treatment, and preparation method therefor and use thereof	20200303
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

PMID	Publication Date	Title	Journal
20544255	20101101	Didymosphaeria igniaria: a new microorganism useful for the enantioselective reduction of aryl-aliphatic ketones	Journal of industrial microbiology & biotechnology
18221748	20080222	Synthesis and application of mono-6-(3-methylimidazolium)-6-deoxyperphenylcarbamoyl-beta-cyclodextrin chloride as chiral stationary phases for high-performance liquid chromatography and supercritical fluid chromatography	Journal of chromatography. A
17547451	20070628	Chiral discrimination in host-guest supramolecular complexes. Understanding enantioselectivity and solid solution behaviors by using spectroscopic methods and chemical sensors	The journal of physical chemistry. B

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Related Functional Groups

Alcohols and Derivatives

[58287-18-6]
(1R)-1-(4-Nitrophenyl)ethanol
[77987-49-6]
Z-Glycinol
[108100-06-7]
(S)-1-(2-Methoxyphenyl)ethanol
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[2892-51-5]
3,4-Dihydroxy-3-cyclobutene-1,2-dione

Oxygen Compounds

[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[1427004-19-0]
DBCO-PEG4-NHS ester
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	87.3
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:	1.5