Basic information
- CAS
350-96-9- Standard SMILES
Cc1ccc(NC(=O)C(F)(F)F)cc1- InChIKey
UTLLHJULQYAUIK-UHFFFAOYSA-N- Molecular formula
- C9H8F3NO
- Average molar mass
- 203.16 g/mol
- Monoisotopic mass
- 203.05579854
Names & identifiers
- Preferred name
- Acetamide, 2,2,2-trifluoro-N-(4-methylphenyl)-
- IUPAC
- 2,2,2-trifluoro-N-(4-methylphenyl)acetamide
- English name
- p-Toluidine Trifluoroacetamide
- Molecular formula
- C9H8F3NO
- Molecular weight
- 203.16
Names & synonyms
350-96-9Acetamide, 2,2,2-trifluoro-N-(4-methylphenyl)-NSC 87411DTXSID40188538RefChem:314267DTXCID001110292,2,2-trifluoro-N-(4-methylphenyl)acetamidep-Toluidine Trifluoroacetamide2,2,2-Trifluoro-N-(p-tolyl)acetamidep-Methyltrifluoroacetanilide2,2,2-Trifluoro-p-acetotoluidideNSC87411
Show more names
p-Methyltrifluoroacetanilide; 2,2,2-Trifluoro-p-acetotoluidide; 2,2,2-Trifluoro-N-(4-methylphenyl)acetamide; NSC 87411;NCIOpen2_005172SCHEMBL5546929SCHEMBL6935128WZFVHUOURWWVBR-UHFFFAOYSA-NMFCD00459921NSC-87411STK662326
Database identifiers
- CAS
350-96-9- PubChem CID
- 136175
- DTXSID
DTXSID40188538- Nikkaji
- J340.760H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Melting point
- 111 · 111-112 °C
- Boiling point
- 70 °C · 70 °C(Press: 0.001 Torr)
- Density
- 1.309 · 1.309±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 10.06 · 10.06±0.70(Predicted)
- color
- White to Off-White
Chemistry & industry
Applications
Usesp-Toluidine Trifluoroacetamide (cas# 350-96-9) is a compound useful in organic synthesis.
Suppliers9 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
Related reactions
2 records
Compound notes
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