3-Bromo-5-chlorotoluene - CAS 329944-72-1

Name: 3-Bromo-5-chlorotoluene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB021511
Product Name:	3-Bromo-5-chlorotoluene
CAS:	329944-72-1
Synonyms:	1-bromo-3-chloro-5-methylbenzene; 1-bromo-3-chloro-5-methylbenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-bromo-3-chloro-5-methylbenzene
Description:	3-Bromo-5-chlorotoluene (CAS# 329944-72-1) is a reagent used in the synthesis of novel benzophenones towards the discovery of potent, next generation HIV nonnucleoside reverse transcriptase inhibitors.
Molecular Weight:	205.48
Molecular Formula:	C7H6BrCl
Canonical SMILES:	CC1=CC(=CC(=C1)Br)Cl
InChI:	InChI=1S/C7H6BrCl/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3
InChI Key:	YRIKDGJWRMHTJP-UHFFFAOYSA-N
Boiling Point:	222.3 °C at 760 mmHg
Density:	1.535 g/cm³
LogP:	3.41090

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Related Functional Groups

Halides

[1448610-48-7]C11H13BrO
1-(4-Bromo-3-methylphenyl)cyclobutanol
[111-85-3]C8H17Cl
1-Chlorooctane
[199114-62-0]C10H9ClN2O
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
[1431966-58-3]C8H18Cl2F2N2O
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride
[1431970-24-9]C8H14ClF2N3
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[4185-62-0]C10H6BrNO2
2-Bromo-1-nitronaphthalene

GHS Hazard Statement:	H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
US-2021317094-A1	Aminocyclobutanes as monoacylglycerol lipase modulators	20200326
KR-20210110219-A	Organic light emitting device	20200228
WO-2021172905-A1	Organic light-emitting device	20200228
CN-113348171-A	Compound and organic light-emitting element comprising same	20191129
CN-113348172-A	Compound and organic light emitting device including the same	20191129

Complexity:	94.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.93414
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	203.93414
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6