4-Bromo-3-chlorobenzaldehyde - CAS 120077-69-2

Catalog:	BB004708
Product Name:	4-Bromo-3-chlorobenzaldehyde
CAS:	120077-69-2
Synonyms:	4-bromo-3-chlorobenzaldehyde; 4-bromo-3-chlorobenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-3-chlorobenzaldehyde
Description:	4-Bromo-3-chlorobenzaldehyde (CAS# 120077-69-2) is a useful research chemical.
Molecular Weight:	219.46
Molecular Formula:	C7H4BrClO
Canonical SMILES:	C1=CC(=C(C=C1C=O)Cl)Br
InChI:	InChI=1S/C7H4BrClO/c8-6-2-1-5(4-10)3-7(6)9/h1-4H
InChI Key:	LDYVDYZLCRUOTM-UHFFFAOYSA-N
Boiling Point:	281.255 °C at 760 mmHg
Density:	1.698 g/cm³
Storage:	Inert atmosphere, 2-8 °C
LogP:	2.91500

Publication Number	Title	Priority Date
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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