3-Bromo-4-chlorobenzaldehyde - CAS 86265-88-5

Catalog:	BB037876
Product Name:	3-Bromo-4-chlorobenzaldehyde
CAS:	86265-88-5
Synonyms:	3-bromo-4-chlorobenzaldehyde; 3-bromo-4-chlorobenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	3-bromo-4-chlorobenzaldehyde
Description:	3-Bromo-4-chlorobenzaldehyde (CAS# 86265-88-5) is a useful research chemical.
Molecular Weight:	219.46
Molecular Formula:	C7H4BrClO
Canonical SMILES:	C1=CC(=C(C=C1C=O)Br)Cl
InChI:	InChI=1S/C7H4BrClO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H
InChI Key:	AKDABJGHOOCVKX-UHFFFAOYSA-N
Boiling Point:	277.8±20.0 °C (760 Torr)
Density:	1.698±0.06 g/cm³ (20°C 760 Torr)
MDL:	MFCD08059100
LogP:	2.91500

Publication Number	Title	Priority Date
WO-2020112706-A1	7-, 8-, and 10-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE	20181130
WO-2019196720-A1	Arginine methyltransferase inhibitor, pharmaceutical composition thereof and use thereof	20180408
US-2019298729-A1	Imidazopiperazine inhibitors of transcription activating proteins	20180329
WO-2019191667-A1	Imidazopiperazine inhibitors of transcription activating proteins	20180329
EP-3773587-A1	Imidazopiperazine inhibitors of transcription activating proteins	20180329

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Carbonyl Compounds

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GHS Hazard Statement:	H302 (100%): 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:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.91341
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	217.91341
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6