3-Bromobenzophenone - CAS 1016-77-9

Catalog:	BB000594
Product Name:	3-Bromobenzophenone
CAS:	1016-77-9
Synonyms:	(3-bromophenyl)-phenylmethanone

Technical Data

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Computed Properties

IUPAC Name:	(3-bromophenyl)-phenylmethanone
Description:	3-Bromobenzophenone (CAS# 1016-77-9) is a useful research chemical.
Molecular Weight:	261.11
Molecular Formula:	C13H9BrO
Canonical SMILES:	C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)Br
InChI:	InChI=1S/C13H9BrO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H
InChI Key:	XNUMUNIJQMSNNN-UHFFFAOYSA-N
Boiling Point:	355.4 °C at 760 mmHg
Melting Point:	74-78 °C
Purity:	95 %
Density:	1.421 g/cm³
Appearance:	Off-white crystalline
Storage:	Keep container tightly closed.
MDL:	MFCD00672015
LogP:	3.68010

Publication Number	Title	Priority Date
CN-112961157-A	Indolocarbazole-based organic luminescent material and preparation method and application thereof	20210220
WO-2021151014-A1	Pgdh inhibitors and methods of making and using	20200123
KR-20210093581-A	Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof	20200120
WO-2021149998-A1	Compound for organic electric element, organic electric element using same, and electronic device having same	20200120
WO-2021003295-A1	Modulators of hsd17b13 and methods of use thereof	20190702

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Related Functional Groups

Carbonyl Compounds

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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:	221
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	259.98368
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	259.98368
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4