2-Bromo-1-phenylpropane - CAS 2114-39-8

Catalog:	BB016647
Product Name:	2-Bromo-1-phenylpropane
CAS:	2114-39-8
Synonyms:	2-bromopropylbenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromopropylbenzene
Description:	2-Bromo-1-phenylpropane (CAS# 2114-39-8) is a useful research chemical.
Molecular Weight:	199.09
Molecular Formula:	C9H11Br
Canonical SMILES:	CC(CC1=CC=CC=C1)Br
InChI:	InChI=1S/C9H11Br/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChI Key:	NVYOCAOZCSNIHR-UHFFFAOYSA-N
Boiling Point:	228 °C at 760 mmHg
Purity:	95 %
Density:	1.291 g/mL at 25 °C (lit.)
Appearance:	Clear colorless to light brown liquid
MDL:	MFCD00000149
LogP:	3.01250

Publication Number	Title	Priority Date
WO-2021138314-A1	Compounds and compositions for treating cns disorders	20200103
AU-2019243133-A1	Novel compound and pharmaceutical composition for preventing or treating obesity or metabolic syndrome comprising same	20180326
CN-112105598-A	Novel compound for preventing or treating obesity or metabolic syndrome and pharmaceutical composition comprising the same	20180326
AU-2019243133-B2	Novel compound and pharmaceutical composition for preventing or treating obesity or metabolic syndrome comprising same	20180326
EP-3778555-A1	Novel compound and pharmaceutical composition for preventing or treating obesity or metabolic syndrome comprising same	20180326

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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

Complexity:	84.7
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:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4