2-Chloro-2-butenal

HCID 94558
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Basic information

CAS
53175-28-3
Standard SMILES
CC=C(Cl)C=O
InChIKey
GMUIHGWBQIUCST-UHFFFAOYSA-N
Molecular formula
C4H5ClO
Average molar mass
104.53 g/mol
Monoisotopic mass
104.00289246

Names & identifiers

Preferred name
2-Chloro-2-butenal
IUPAC
2-chlorobut-2-enal

Names & synonyms

2-Chloro-2-butenalDTXSID301031538RefChem:468563DTXCID80819091258-412-3(Z)-2-chloro-2-butenal2-chloro-but-2-enalSCHEMBL6947211GMUIHGWBQIUCST-UHFFFAOYSA-NNS00057313

Database identifiers

CAS
53175-28-3
PubChem CID
94558
DTXSID
DTXSID301031538
EC Number
258-412-3

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
6

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P361+P364, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Related reactions

2 records
New reaction record

Compound notes

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