4-Bromo-α-methylbenzyl alcohol - CAS 5391-88-8

Catalog:	BB028393
Product Name:	4-Bromo-α-methylbenzyl alcohol
CAS:	5391-88-8
Synonyms:	1-(4-bromophenyl)ethanol

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-(4-bromophenyl)ethanol
Description:	4-Bromo-α-methylbenzyl alcohol (CAS# 5391-88-8) is a useful research chemical.
Molecular Weight:	201.06
Molecular Formula:	C8H9BrO
Canonical SMILES:	CC(C1=CC=C(C=C1)Br)O
InChI:	InChI=1S/C8H9BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3
InChI Key:	XTDTYSBVMBQIBT-UHFFFAOYSA-N
Boiling Point:	119-121 °C (7 mmHg)
Density:	1.46 g/cm³
Solubility:	Insoluble in water
Appearance:	Solid
LogP:	2.50240

Publication Number	Title	Priority Date
CN-113354556-A	C3Chiral ligand H3L with symmetry amide bond, preparation method and application	20210705
CN-113333018-A	Preparation method and application of supported catalyst for preparing halogenated styrene	20210625
CN-112552157-A	Preparation method of 2- (4- (2-substituted ethyl) phenyl) -2-methylpropanoic acid	20210219
CN-112552157-B	Preparation method of 2- (4- (2-substituted ethyl) phenyl) -2-methylpropanoic acid	20210219
CN-112851478-A	Method for regulating and controlling bromoacetophenone selective reduction through atmosphere calcination and application	20201231

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
20637354	20100701	[Crystallization and structural investigation of supramolecular compounds with modified cyclodextrins. Application to chiral discrimination]	Annales pharmaceutiques francaises
17531472	20080401	Production of (R)-1-(4-Bromo-phenyl)-ethanol by locally isolated Aspergillus niger using ram horn peptone	Bioresource technology
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

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(Z)-11-Octadecen-1-ol
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[2892-51-5]
3,4-Dihydroxy-3-cyclobutene-1,2-dione
[1017184-54-1]
3-Amino-2-(2-pyridylmethyl)-1-propanol

Oxygen Compounds

[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[5896-75-3]
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[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
[56517-33-0]
2-Bromo-4-isopropoxy-5-methoxybenzaldehyde

GHS Hazard Statement:	H302 (89.13%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	97.4
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:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1