4-Bromobenzyl alcohol - CAS 873-75-6

Catalog:	BB038412
Product Name:	4-Bromobenzyl alcohol
CAS:	873-75-6
Synonyms:	(4-bromophenyl)methanol

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	(4-bromophenyl)methanol
Description:	4-Bromobenzyl alcohol (CAS# 873-75-6) is a useful research chemical.
Molecular Weight:	187.03
Molecular Formula:	C7H7BrO
Canonical SMILES:	C1=CC(=CC=C1CO)Br
InChI:	InChI=1S/C7H7BrO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
InChI Key:	VEDDBHYQWFOITD-UHFFFAOYSA-N
Boiling Point:	267.8 °C at 760 mmHg
Melting Point:	75-77 °C
Purity:	98 %
Density:	1.565 g/cm³
Appearance:	White to slightly beige crystals or cryst. powder
MDL:	MFCD00004650
LogP:	1.94140

Publication Number	Title	Priority Date
CN-113461510-A	Aromatic acid compound and preparation method thereof	20210804
CN-113480394-A	Green synthesis method of alkylene fluorene	20210705
CN-113354675-A	Preparation method of 4-hydroxymethyl phenylboronic acid	20210701
CN-113337219-A	Antibacterial and antiviral aldehyde-removing coating and preparation method thereof	20210628
CN-113087673-A	Preparation method of alkyl/alkenyl substituted nitrogen-containing heterocyclic compound	20210407

PMID	Publication Date	Title	Journal
17283007	20070201	A Thermoanaerobacter ethanolicus secondary alcohol dehydrogenase mutant derivative highly active and stereoselective on phenylacetone and benzylacetone	Protein engineering, design & selection : PEDS
15974592	20050630	Design and synthesis of potent inhibitors of plasmepsin I and II: X-ray crystal structure of inhibitor in complex with plasmepsin II	Journal of medicinal chemistry
15267244	20040729	Probing the activity differences of simple and complex brominated aryl compounds against 15-soybean, 15-human, and 12-human lipoxygenase	Journal of medicinal chemistry

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Related Functional Groups

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Oxygen Compounds

[544-62-7]
Batyl alcohol
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[88-60-8]
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[610-78-6]
4-Chloro-3-nitrophenol

GHS Hazard Statement:	H315 (42.86%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	77
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.96803
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	185.96803
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2