Basic information
- CAS
306935-40-0- Standard SMILES
O=C(CC(=O)C(F)(F)F)c1nccs1- InChIKey
RABBUDYHJFHMOA-UHFFFAOYSA-N- Molecular formula
- C7H4F3NO2S
- Average molar mass
- 223.17 g/mol
- Monoisotopic mass
- 222.99148403
Names & identifiers
- Preferred name
- 4,4,4-Trifluoro-1-(1,3-thiazol-2-yl)butane-1,3-dione
- IUPAC
- 4,4,4-trifluoro-1-(1,3-thiazol-2-yl)butane-1,3-dione
- English name
- 3-(Thiazol-2-ylcarbonyl)-1,1,1-trifluoroacetone
- Molecular formula
- C7H4F3NO2S
- Molecular weight
- 223.17
Names & synonyms
306935-40-04,4,4-trifluoro-1-(1,3-thiazol-2-yl)butane-1,3-dioneTrifluorothiazolylbutanedione4,4,4-Trifluoro-1-(thiazol-2-yl)butane-1,3-dioneMFCD015705863-(thiazol-2-ylcarbonyl)-1,1,1-trifluoroacetoneSCHEMBL7321698DTXSID10380264RABBUDYHJFHMOA-UHFFFAOYSA-NSBB096459AKOS009157420SB36497
Show more names
2-(4,4,4-Trifluoroacetoacetyl)-1,3-thiazole4,4,4-TRIFLUORO-1-(2-THIAZOLYL)BUTANE-1,3-DIONE
DB-068330CS-03400774,4,4-trifluoro-1-thiazol-2-yl-butane-1,3-dione1,3-Butanedione, 4,4,4-trifluoro-1-(2-thiazolyl)-
Database identifiers
- CAS
306935-40-0- PubChem CID
- 2776830
- DTXSID
DTXSID10380264- Nikkaji
- J2.828.586H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Boiling point
- 118 · 118-119/15mm
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Hazard Codes
- Xi
- Hazard Note
- Irritant
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
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers10 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
上海旺珐化工科技有限公司（安徽珐诺伊医药科技有限公司）13918479294 · [email protected]
上海智乾生物科技有限公司[email protected]
上海福鲤生物科技有限公司13136210870 · [email protected]
扬州摩笛尔电子材料有限公司13761402923 19975033992 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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