2-(2-Bromophenyl)-2-propanol - CAS 7073-69-0

Catalog:	BB034227
Product Name:	2-(2-Bromophenyl)-2-propanol
CAS:	7073-69-0
Synonyms:	2-(2-bromophenyl)-2-propanol; 2-(2-bromophenyl)propan-2-ol

Technical Data

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Computed Properties

IUPAC Name:	2-(2-bromophenyl)propan-2-ol
Description:	2-(2-Bromophenyl)-2-propanol (CAS# 7073-69-0) is a useful research chemical.
Molecular Weight:	215.09
Molecular Formula:	C9H11BrO
Canonical SMILES:	CC(C)(C1=CC=CC=C1Br)O
InChI:	InChI=1S/C9H11BrO/c1-9(2,11)7-5-3-4-6-8(7)10/h3-6,11H,1-2H3
InChI Key:	TXQKNSQVEWHJAQ-UHFFFAOYSA-N
Boiling Point:	268.3 °C at 760 mmHg
Density:	1.403 g/cm³
Appearance:	Solid
LogP:	2.67650

Publication Number	Title	Priority Date
CN-111793053-A	Preparation method of 9, 9-dimethyl xanthene	20200814
CN-112430177-A	Synthesis method of montelukast sodium intermediate	20190826
WO-2020084492-A1	Inhibitors of human immunodeficiency virus replication	20181024
TW-202031261-A	Inhibitors of human immunodeficiency virus replication	20181024
US-2020360384-A1	Inhibitors of human immunodeficiency virus replication	20181024

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	134
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.99933
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	213.99933
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3