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4-Bromo-3-methylbenzyl Bromide

4-Bromo-3-methylbenzyl Bromide - CAS 27561-51-9

Catalog:	BB019609
Product Name:	4-Bromo-3-methylbenzyl Bromide
CAS:	27561-51-9
Synonyms:	1-bromo-4-(bromomethyl)-2-methylbenzene; 1-bromo-4-(bromomethyl)-2-methylbenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-bromo-4-(bromomethyl)-2-methylbenzene
Description:	4-Bromo-3-methylbenzyl Bromide (CAS# 27561-51-9) is a useful research chemical.
Molecular Weight:	263.96
Molecular Formula:	C8H8Br2
Canonical SMILES:	CC1=C(C=CC(=C1)CBr)Br
InChI:	InChI=1S/C8H8Br2/c1-6-4-7(5-9)2-3-8(6)10/h2-4H,5H2,1H3
InChI Key:	CWOKZNRRLJXSAA-UHFFFAOYSA-N
Boiling Point:	275.436 ℃ at 760 mmHg
Density:	1.744 g/cm³
Appearance:	Pale yellow to yellow brown liquid
LogP:	3.65240

Publication Number	Title	Priority Date
US-2021053967-A1	Compounds for inhibition of alpha 4 beta 7 integrin	20190814
WO-2021030438-A1	Compounds for inhibition of alpha 4 beta 7 integrin	20190814
WO-2020206424-A1	Stat degraders and uses thereof	20190405
WO-2020095912-A1	Benzimidazole derivative	20181106
TW-202031644-A	Benzimidazole derivative	20181106

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Related Functional Groups

Halides

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	263.89723
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	261.89928
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5