3-Bromo-2-chlorobenzaldehyde - CAS 1197050-28-4

Catalog:	BB004578
Product Name:	3-Bromo-2-chlorobenzaldehyde
CAS:	1197050-28-4
Synonyms:	3-bromo-2-chlorobenzaldehyde; 3-bromo-2-chlorobenzaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-bromo-2-chlorobenzaldehyde
Description:	3-Bromo-2-chlorobenzaldehyde (CAS# 1197050-28-4) is a useful research chemical.
Molecular Weight:	219.46
Molecular Formula:	C7H4BrClO
Canonical SMILES:	C1=CC(=C(C(=C1)Br)Cl)C=O
InChI:	InChI=1S/C7H4BrClO/c8-6-3-1-2-5(4-10)7(6)9/h1-4H
InChI Key:	ZDICHAGDCMMAKV-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	2.91500

Publication Number	Title	Priority Date
WO-2020228649-A1	Substituted phenylpropenylpyridine derivative, and preparation method therefor and medical use thereof	20190510
CN-112566905-A	Substituted phenyl propenyl pyridine derivatives, preparation method and medical application thereof	20190510
WO-2020200284-A1	Preparation method for tricyclic compound and use of same in field of medicine	20190404
CN-112313220-A	PD-L1 antagonist compounds	20190221
TW-202045487-A	Pd-l1 antagonist compounds	20190221

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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:	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