2-Methylphenethyl bromide - CAS 16793-90-1

Catalog:	BB012433
Product Name:	2-Methylphenethyl bromide
CAS:	16793-90-1
Synonyms:	1-(2-bromoethyl)-2-methylbenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(2-bromoethyl)-2-methylbenzene
Description:	2-Methylphenethyl bromide (CAS# 16793-90-1 ) is a useful research chemical.
Molecular Weight:	199.09
Molecular Formula:	C9H11Br
Canonical SMILES:	CC1=CC=CC=C1CCBr
InChI:	InChI=1S/C9H11Br/c1-8-4-2-3-5-9(8)6-7-10/h2-5H,6-7H2,1H3
InChI Key:	PZXWZXNXBNIAHO-UHFFFAOYSA-N
Boiling Point:	228.4 ℃ at 760 mmHg
Density:	1.179 g/mL at 25 ℃
MDL:	MFCD04117467
LogP:	2.93240

Publication Number	Title	Priority Date
WO-2021100658-A1	Compound, mixture, curable resin composition and cured product thereof, and compound production method	20191119
WO-2020229968-A1	Non-lysosomal glucosylceramidase inhibitors and uses thereof	20190510
CN-111777501-A	Caffeic acid phenethyl ester derivatives, preparation method thereof, pharmaceutical compositions thereof and application thereof	20190403
KR-20210079336-A	Aminopeptidase A inhibitor and pharmaceutical composition comprising same	20181026
US-2021309678-A1	Aminopeptidase a inhibitors and pharmaceutical compositions comprising the same	20181026

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Related Functional Groups

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[134005-20-2]
(Z)-1,3-Diiodo-2-butene
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[444581-46-8]
1-Bromo-2-(1,1-difluoroethyl)benzene

GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	90.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.00441
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	198.00441
Rotatable Bond Count:	2
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8