2-Butenoyl chloride
Basic information
- CAS
10487-71-5- 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
- English name
- CROTONYL CHLORIDE
- Molecular formula
- C4H5ClO
- Molecular weight
- 104.53
Names & synonyms
DTXSID2065096RefChem:1062656DTXCID4032904234-010-310487-71-52-Butenoyl chlorideButenoyl chloridebut-2-enoyl chlorideE-Crotonoyl chloriderac-Crotonoyl ChlorideCrotonic Acid Chloride; 2-Butenoyl Chloride; beta-Methylacryloyl Chloridemethylacrylchloride
Show more names
CrotonylCROTONOYL CHLORIDECROTONYL CHLORIDE2-butenoylchloridebut-2-enoylchlorideE-CROTONYL CHLORIDECROTONIC ACID CHLORIDE2-Butenoic acid chlorideTRANS-2-BUTENOYL CHLORIDE
methylacryl chlorideCrotonoyl chloride (cis- and trans- mixture)3-methylacryloyl chloride3-methyl-acryloyl chloride140242-43-9SCHEMBL245656AKOS028108515DB-013442
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
- 75.6
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Boiling point
- 120 · 120-123 °C(lit.)
- Density
- 1.091 g/mL · 1.091 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.459(lit.)
- Flash point
- 95 °F · 95 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Chloroform (Soluble), Methanol (Slightly)
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- Stability
- Moisture sensitive
- InChI
- 1S/C4H5ClO/c1-2-3-4(5)6/h2-3H,1H3/b3-2+
- InChIKey
- RJUIDDKTATZJFE-NSCUHMNNSA-N
- SMILES
- ClC(=O)\C=C\C
- CAS DataBase Reference
- 10487 · 10487-71-5(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · 2-Butenoyl chloride (10487-71-5)
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 226 · H226-H314-H335
- Precautionary statements
- 210 · P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
- target organs
- Respiratory system
- Hazard Codes
- C
- Risk Statements
- 10 · 10-34-36/37
- Safety Statements
- 16 · 16-26-27-36/37/39-45
- RIDADR
- 2920 · UN 2920 8/PG 2
- WGK Germany
- 3 · 3
- F
- 13 · 13-19-21
- TSCA
- TSCA listed
- HS Code
- 2916 · 2916 19 95
- HazardClass
- 8 · 8
- PackingGroup
- II
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 Skin · Flam. Liq. 3Skin Corr. 1BSTOT SE 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
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.
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%)
Safety data
- F
- 13-19-21
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2920 8/PG 2
- hs_code
- 2916 19 95
- risk_code
- 10-34-36/37
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07
- hazard_code
- C
- safety_code
- 16-26-27-36/37/39-45
- hazard_class
- 8
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H226-H314-H335
- Hazard Classifications
- Flam. Liq. 3Skin Corr. 1BSTOT SE 3
- Precautionary statements
- P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Butenoyl chloride: ACTIVE
Applications
UsesCrotonyl chloride is commonly used in the preparation of crotonates and other derivatives.
Upstream & downstream products
Downstream products
Related reactions
41 records
Compound notes
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