Basic information
- CAS
95727-77-8- Standard SMILES
CCCC(=O)c1c(F)cccc1F- InChIKey
MNDPYRXCTIANDJ-UHFFFAOYSA-N- Molecular formula
- C10H10F2O
- Average molar mass
- 184.18 g/mol
Names & identifiers
- Preferred name
- 1-(2,6-Difluorophenyl)butan-1-one
- IUPAC
- 1-(2,6-difluorophenyl)butan-1-one
- English name
- 1-(2,6-Difluorophenyl)butan-1-one
- Molecular formula
- C10H10F2O
- Molecular weight
- 184.18
Names & synonyms
1-(2,6-difluorophenyl)butan-1-one95727-77-82,6-Difluorobutyrophenone1-(2,6-Difluorophenyl)-1-butanoneMFCD000424712',6'-Difluorobutyrophenoneorb3031378SCHEMBL66014592 6-DIFLUOROBUTYROPHENONEFr12494SBB090149AKOS009157741
Show more names
1-(2,6-Difluorophenyl)-1-butanone #1-Butanone, 1-(2,6-difluorophenyl)-DB-057601N140371-(2,6-difluorophenyl)butan-1-one, 2,6-Difluorobutyrophenone, 1-(2,6-Difluorophenyl)-1-butanone, ZINC00159556, AC1LAXVL, SureCN6601459, CTK6D3158, MolPort-001-774-170, SBB090149, AKOS009157741, AG-A-12043, CD09721, KB-08175, FT-0610655, 95727-77-8
Database identifiers
- CAS
95727-77-8
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HS Code
- 2914120000 · 2914120000
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
- 2914120000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers3 total
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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