Basic information
- Standard SMILES
CC=CC(=O)Cl- InChIKey
RJUIDDKTATZJFE-UHFFFAOYSA-N- Molecular formula
- C4H5ClO
- Average molar mass
- 104.53 g/mol
- Monoisotopic mass
- 104.0028925
Names & identifiers
- Preferred name
- 2-Butenoyl chloride
- IUPAC
- but-2-enoyl chloride
Names & synonyms
2-Butenoyl chloride10487-71-5DTXSID2065096RefChem:1062656DTXCID4032904234-010-3Butenoyl chloridebut-2-enoyl chlorideE-Crotonoyl chlorideCrotonic Acid Chloride; 2-Butenoyl Chloride; beta-Methylacryloyl Chloridemethylacrylchloridemethylacryl chloride
Show more names
rac-Crotonoyl Chloride3-methylacryloyl chloride3-methyl-acryloyl chloride140242-43-9SCHEMBL245656AKOS028108515DB-013442DB-040570
Database identifiers
- CAS
10487-71-5- PubChem CID
- 79080
- DTXSID
DTXSID2065096- EC Number
- 234-010-3
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 75
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (94.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 17 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: 2-Butenoyl chloride
Crotonoyl chloride (mixture of cis- and trans isomers): Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Butenoyl chloride: Human health tier I assessment
Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Corr. 1B (100%)；Eye Dam. 1 (94.1%)；STOT SE 3 (100%)
Regulatory information
Regulatory Information
Chemical: 2-Butenoyl chloride
Crotonoyl chloride (mixture of cis- and trans isomers): Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Butenoyl chloride: ACTIVE
Related reactions
41 records
Linked notes
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