4-Bromo-2-methylanisole - CAS 14804-31-0

Name: 4-Bromo-2-methylanisole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB010259
Product Name:	4-Bromo-2-methylanisole
CAS:	14804-31-0
Synonyms:	4-bromo-1-methoxy-2-methylbenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-1-methoxy-2-methylbenzene
Description:	4-Bromo-2-methylanisole (CAS# 14804-31-0) is a useful research chemical.
Molecular Weight:	201.06
Molecular Formula:	C8H9BrO
Canonical SMILES:	CC1=C(C=CC(=C1)Br)OC
InChI:	InChI=1S/C8H9BrO/c1-6-5-7(9)3-4-8(6)10-2/h3-5H,1-2H3
InChI Key:	UDLRGQOHGYWLCS-UHFFFAOYSA-N
Boiling Point:	124-125 °C / 25 mmHg
Purity:	98 %
Density:	1.378 g/cm³
Appearance:	Colorless to light yellow liquid
MDL:	MFCD01321139
LogP:	2.76610

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Related Functional Groups

Halides

[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[444581-46-8]C8H7BrF2
1-Bromo-2-(1,1-difluoroethyl)benzene
[199114-62-0]C10H9ClN2O
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
[73084-03-4]C11H18ClN3
2,4-di-tert-butyl-6-chloro-1,3,5-triazine
[4185-62-0]C10H6BrNO2
2-Bromo-1-nitronaphthalene

Oxygen Compounds

[544-62-7]C21H44O3
Batyl alcohol
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1263034-11-2]C38H53N3O2
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1011396-69-2]C12H17F2NO2
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[2960-93-2]C22H18O2
2,2'-Dimethoxy-1,1'-binaphthalene

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2020181104-A1	Ssao inhibitors and uses thereof	20181024
US-2020102308-A1	Farnesoid x receptor agonists and uses thereof	20180918
WO-2020061112-A1	Farnesoid x receptor agonists and uses thereof	20180918
WO-2020061113-A1	Farnesoid x receptor agonists and uses thereof	20180918
WO-2020061116-A1	Farnesoid x receptor agonists and uses thereof	20180918

Complexity:	105
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:	0
Isotope Atom Count:	0
Monoisotopic Mass:	199.98368
Rotatable Bond Count:	1
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5