Methyl 3-chlorocarbonylpropenoate

HCID 574607
NotesReactions

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Basic information

CAS
17081-97-9
Standard SMILES
COC(=O)C=CC(=O)Cl
InChIKey
JHDQHPJHLHKZDL-UHFFFAOYSA-N
Molecular formula
C5H5ClO3
Average molar mass
148.54 g/mol
Monoisotopic mass
147.9927217

Names & identifiers

Preferred name
Methyl 3-chlorocarbonylpropenoate
IUPAC
methyl 4-chloro-4-oxobut-2-enoate

Names & synonyms

methyl 3-chlorocarbonylpropenoate17081-97-9DTXSID10341633RefChem:354950DTXCID30292714SCHEMBL2191665methyl-3-chlorocarbonylpropenoateJHDQHPJHLHKZDL-UHFFFAOYSA-Nmethyl 3-(chlorocarbon-yl)acrylate

Database identifiers

CAS
17081-97-9
PubChem CID
574607
DTXSID
DTXSID10341633
EC Number
887-191-1

Properties

Computed structural propertiesFilling in

XLogP
1.4
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
9

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, 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 CategoriesAcute Tox. 4 (100%)；Skin Corr. 1B (100%)；STOT SE 3 (100%)

Chemistry & industry

Suppliers7 total

山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海百韧生物科技有限公司13564638271 · [email protected]
济南利恒生物科技有限公司0531-18763987518 18763987518 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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