Basic information
- CAS
344-62-7- Standard SMILES
CC(=O)Nc1ccccc1C(F)(F)F- InChIKey
OXDTZGRSCDEKGO-UHFFFAOYSA-N- Molecular formula
- C9H8F3NO
- Average molar mass
- 203.16 g/mol
- Monoisotopic mass
- 203.05579836
Names & identifiers
- Preferred name
- N-[2-(trifluoromethyl)phenyl]acetamide
- IUPAC
- N-[2-(trifluoromethyl)phenyl]acetamide
- English name
- 2-(TRIFLUOROMETHYL)ACETANILIDE
- Molecular formula
- C9H8F3NO
- Molecular weight
- 203.16
Names & synonyms
344-62-7N-(2-(Trifluoromethyl)phenyl)acetamiden-[2-(trifluoromethyl)phenyl]acetamide2'-(Trifluoromethyl)acetanilideAcetanilide, 2-trifluoromethyl-Acetamide, N-[2-(trifluoromethyl)phenyl]-NSC 88329Acetamide, N-(2-(trifluoromethyl)phenyl)-alpha,alpha,alpha-Trifluoro-o-acetotoluidideEINECS 206-453-2BRN 2106815o-Acetotoluidide, alpha,alpha,alpha-trifluoro-
Show more names
O-ACETAMINOBENZOTRIFLUORIDEO-ACETAMIDOBENZOTRIFLUORIDE2-ACETAMIDOBENZOTRIFLUORIDE2-trifluoromethyl-acetanilidO-ACETYLAMINOBENZOTRIFLUORIDE2-(TRIFLUOROMETHYL)ACETANILIDEO-(TRIFLUOROMETHYL)ACETANILIDEN1-[2-(TRIFLUOROMETHYL)PHENYL]A2'-(Trifluoromethyl)acetoanilide
DTXSID501879713-12-00-01909 (Beilstein Handbook Reference)RefChem:161625DTXCID10110462Acetamide, N-(2-(trifluoromethyl)phenyl)-(9CI)206-453-2HNIPNANLYHXYDE-UHFFFAOYSA-InChI=1/C9H8F3NO/c1-6(14)13-8-4-2-3-7(5-8)9(10,11)12/h2-5H,1H3,(H,13,14)
Database identifiers
- CAS
344-62-7- PubChem CID
- 67655
- DTXSID
DTXSID50187971- ChEMBL
CHEMBL1874545- EC Number
- 206-453-2
- Nikkaji
- J55.066C
Properties
Computed structural properties
- XLogP
- 1.1
- 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
- 215
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP1.11
Solubility5.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 94 · 94-95°C
- Boiling point
- 296.8 · 296.8±40.0 °C(Predicted)
- Density
- 1.2812 · 1.2812 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 14.36 · 14.36±0.70(Predicted)
- BRN
- 2106815 · 2106815
- CAS DataBase Reference
- 344 · 344-62-7(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P304+P340, P305+P351+P338, P330, P337+P317, P342+P316, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- rtecs
- AN3760000
- hs_code
- 2924297099
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280h-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers46 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
Related reactions
3 records
Compound notes
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