Ethyl 2,2-Difluoro-2-(4-isopropylphenyl)acetate
Basic information
- CAS
1027514-27-7- Standard SMILES
CCOC(=O)C(F)(F)c1ccc(C(C)C)cc1- InChIKey
CRNSFQGKWLNQLK-UHFFFAOYSA-N- Molecular formula
- C13H16F2O2
- Average molar mass
- 242.26 g/mol
- Monoisotopic mass
- 242.11183607
Names & identifiers
- Preferred name
- Ethyl 2,2-Difluoro-2-(4-isopropylphenyl)acetate
- IUPAC
- ethyl 2,2-difluoro-2-(4-propan-2-ylphenyl)acetate
- English name
- Ethyl-2,2-difluoro-2-(4-isopropylphenyl)acetate
- Molecular formula
- C13H16F2O2
- Molecular weight
- 242.26
Names & synonyms
1027514-27-7Ethyl 2,2-Difluoro-2-(4-isopropylphenyl)acetateethyl-2,2-difluoro-2-(4-isopropylphenyl)acetateethyl difluoro[4-(propan-2-yl)phenyl]acetateethyl 2,2-difluoro-2-(4-propan-2-ylphenyl)acetateMFCD11007725Ethyl Difluoro-(4-isopropylphenyl)acetateSCHEMBL17420736DTXSID801228162AKOS012096506FS-6443SY069786
Show more names
Ethyl α,α-difluoro-4-(1-methylethyl)benzeneacetateBenzeneacetic acid, α,α-difluoro-4-(1-methylethyl)-, ethyl ester
G73849Ethyl2,2-Difluoro-2-(4-isopropylphenyl)acetateF036002ethyl 2,2-difluoro-2-[4-(propan-2-yl)phenyl]acetateEthyl alpha,alpha-difluoro-4-(1-methylethyl)benzeneacetateEthyl I+/-,I+/--difluoro-4-(1-methylethyl)benzeneacetateBenzeneacetic acid, alpha,alpha-difluoro-4-(1-methylethyl)-, ethyl ester
Database identifiers
- CAS
1027514-27-7- PubChem CID
- 39058335
- DTXSID
DTXSID801228162
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Symbol(GHS)
- 5 · GHS05,GHS06,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311-H314-H361-H373-H410
- Precautionary statements
- 501 · P501-P273-P260-P270-P202-P201-P264-P280-P391-P308+P313-P361+P364-P303+P361+P353-P301+P330+P331-P301+P310+P330-P304+P340+P310-P305+P351+P338+P310-P405
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
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06,GHS08,GHS09
- Hazard statements
- H301+H311-H314-H361-H373-H410
- Precautionary statements
- P501-P273-P260-P270-P202-P201-P264-P280-P391-P308+P313-P361+P364-P303+P361+P353-P301+P330+P331-P301+P310+P330-P304+P340+P310-P305+P351+P338+P310-P405
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
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Compound notes
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