Basic information
- CAS
616-27-3- Standard SMILES
CCC(=O)CCl- InChIKey
AALRHBLMAVGWRR-UHFFFAOYSA-N- Molecular formula
- C4H7ClO
- Average molar mass
- 106.55 g/mol
- Monoisotopic mass
- 106.01854252
Names & identifiers
- Preferred name
- Chloromethyl ethyl ketone
- IUPAC
- 1-chlorobutan-2-one
- English name
- 1-Chlorobutanone
- Molecular formula
- C4H7ClO
- Molecular weight
- 106.55
Names & synonyms
1-Chlorobutan-2-one616-27-31-Chloro-2-butanone2-Butanone, 1-chloro-chloromethyl ethyl ketoneethyl chloromethyl ketoneEINECS 210-473-7QD54LP92WTDTXSID10210597RefChem:575891DTXCID40133088210-473-7
Show more names
1-chlorobutyl-2-one
1-CHLOROBUTANONEMFCD073683121-chloro-butan-2-one1-Chlorobutane-2-oneSerine Impurity 81-Chlorobutan-2-one;UNII-QD54LP92WT1-CL-MEK
Database identifiers
- CAS
616-27-3- PubChem CID
- 69219
- DTXSID
DTXSID10210597- UNII
- QD54LP92WT
- EC Number
- 210-473-7
- Nikkaji
- J491J
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 51.5
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 118.37 °C · 118.37°C (rough estimate)
- Density
- 1.085 · 1.0850
- refractive index
- 1.4372 · 1.4372 (estimate)
- InChI
- InChI=1S/C4H7ClO/c1-2-4(6)3-5/h2-3H2,1H3
- InChIKey
- AALRHBLMAVGWRR-UHFFFAOYSA-N
- SMILES
- C(Cl)C(=O)CC
- CAS DataBase Reference
- 616 · 616-27-3
- FDA UNII
- 54 LP92WT · QD54LP92WT
- Symbol(GHS)
- 2 · GHS02,GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 330 · H330-H315-H226-H319-H335-H310-H301-H410
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P273-P391-P501-P264-P270-P301+P310-P321-P330-P405-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501
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, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 2-Butanone, 1-chloro-
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS09,GHS06
- Hazard statements
- H330-H315-H226-H319-H335-H310-H301-H410
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P273-P391-P501-P264-P270-P301+P310-P321-P330-P405-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501
Chemistry & industry
Applications
Uses1-Chlorobutan-2-one can be useful in enantioselective and photoenzymic preparation of α-tertiary amines via flavin-dependent ene-reductases catalyzed radical cyclization of oximes.
Upstream & downstream products
Downstream products
Suppliers18 total
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
JINING XINHE CHEMICAL CO., LTD+8615318402391 · [email protected]
Dalian Ruiying Technology Co., Ltd.+86-0411-86907150 +86-15940963210 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Related reactions
10 records
Compound notes
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