5-Bromo-2-chlorobenzaldehyde - CAS 189628-37-3

Catalog:	BB014645
Product Name:	5-Bromo-2-chlorobenzaldehyde
CAS:	189628-37-3
Synonyms:	5-bromo-2-chlorobenzaldehyde; 5-bromo-2-chlorobenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-2-chlorobenzaldehyde
Description:	5-Bromo-2-chlorobenzaldehyde (CAS# 189628-37-3) is a useful synthesis intermediate.
Molecular Weight:	219.46
Molecular Formula:	C7H4BrClO
Canonical SMILES:	C1=CC(=C(C=C1Br)C=O)Cl
InChI:	InChI=1S/C7H4BrClO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H
InChI Key:	DPKKRQAEYWOISP-UHFFFAOYSA-N
Boiling Point:	261 °C at 760 mmHg
Density:	1.698 g/cm³
MDL:	MFCD08445659
LogP:	2.91500

Publication Number	Title	Priority Date
CN-111925289-A	Preparation method of 5-bromo-2-chlorobenzoic acid	20200630
US-2020392113-A1	Substituted pyrazolo-pyrazines and their use as glun2b receptor modulators	20190614
WO-2020249785-A1	Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators	20190614
WO-2020249792-A1	Substituted pyrazolo-pyridine amides and their use as glun2b receptor modulators	20190614
WO-2020249802-A1	Substituted pyrazolo-pyrazines and their use as glun2b receptor modulators	20190614

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Carbonyl Compounds

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[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[253429-30-0]
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[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

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GHS Hazard Statement:	H302 (50%): 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:	2.7