(2Z)-3-Chloro-3-(4-chlorophenyl)prop-2-enal - CAS 88438-06-6

Catalog:	BB070239
Product Name:	(2Z)-3-Chloro-3-(4-chlorophenyl)prop-2-enal
CAS:	88438-06-6
Synonyms:	(2Z)-3-Chloro-3-(4-chlorophenyl)prop-2-enal; 3-Chloro-3-(p-chlorophenyl)acrolein; 3-chloro-3-(4-chlorophenyl)acrolein; (Z)-3-chloro-3-(4-chlorophenyl)prop-2-enal; 3-Chloro-3-(4-chlorophenyl)-2-propenal; beta,p-Dichlorocinnamaldehyde; CINNAMALDEHYDE, beta,p-DICHLORO-

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enal
Description:	(2Z)-3-Chloro-3-(4-chlorophenyl)prop-2-enal
Molecular Weight:	201.05
Molecular Formula:	C9H6Cl2O
Canonical SMILES:	C1=CC(=CC=C1C(=CC=O)Cl)Cl
InChI:	InChI=1S/C9H6Cl2O/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-6H/b9-5-
InChI Key:	IWQMAUVMLFGNGU-UITAMQMPSA-N

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Related Functional Groups

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	181
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	199.9795702
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	199.9795702
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9