Basic information
- CAS
118337-48-7- Standard SMILES
C=CCOC(=O)C(F)(F)Cl- InChIKey
RVOSMQFOBYVXQI-UHFFFAOYSA-N- Molecular formula
- C5H5ClF2O2
- Average molar mass
- 170.54 g/mol
- Monoisotopic mass
- 169.99461352
Names & identifiers
- Preferred name
- Allyl chlorodifluoroacetate
- IUPAC
- prop-2-enyl 2-chloro-2,2-difluoroacetate
- English name
- CHLORO-DIFLUORO-ACETIC ACID ALLYL ESTER
- Molecular formula
- C5H5ClF2O2
- Molecular weight
- 170.54
Names & synonyms
Allyl chlorodifluoroacetate118337-48-7DTXSID20434085RefChem:318073DTXCID40384912CHLORO-DIFLUORO-ACETICACIDALLYLESTERprop-2-enyl 2-chloro-2,2-difluoroacetateAllyl 2-chloro-2,2-difluoroacetateMFCD09033650CHLORO-DIFLUORO-ACETIC ACID ALLYL ESTERprop-2-en-1-yl 2-chloro-2,2-difluoroacetateAcetic acid,2-chloro-2,2-difluoro-, 2-propen-1-yl ester
Show more names
2-chloro-2,2-difluoroacetic acid prop-2-enyl esterAcetic acid, 2-chloro-2,2-difluoro-, 2-propen-1-yl ester
Allyl Chloro(Difluoro)AcetateSCHEMBL2364280SBB088447allyl 2-chloro-2,2-difluoro-acetateAKOS006343273Prop-2-en-1-yl chlorodi(fluoro)acetateBS-25076DB-243020
Database identifiers
- CAS
118337-48-7- PubChem CID
- 10012339
- DTXSID
DTXSID20434085- Nikkaji
- J2.211.883H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Boiling point
- 98 °C · 98 °C
- Density
- 1.292 · 1.292±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H319-H335-H302+H312+H332-H315
- Precautionary statements
- 210 · P210-P241-P362+P364
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2916199590 · 2916199590
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2916199590
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H226-H319-H335-H302+H312+H332-H315
- Precautionary statements
- P210-P241-P362+P364
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers6 total
艾琪康医药科技（上海）有限公司13661411401 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
艾琪康医药科技（上海）有限公司13512160998; 13512160998 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
上海智乾生物科技有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
3 records
Compound notes
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