Basic information
- CAS
1939-21-5- Standard SMILES
O=C(Cc1ccccc1)Nc1cccc(C(F)(F)F)c1- InChIKey
AWZJXXWDKOAELM-UHFFFAOYSA-N- Molecular formula
- C15H12F3NO
- Average molar mass
- 279.26 g/mol
- Monoisotopic mass
- 279.08709849
Names & identifiers
- Preferred name
- 3'-Trifluoromethyl-2-phenylacetanilide
- IUPAC
- 2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
- English name
- 3'-Trifluoromethyl-2-phenylacetanilide
- Molecular formula
- C15H12F3NO
- Molecular weight
- 279.26
Names & synonyms
3'-Trifluoromethyl-2-phenylacetanilideDTXSID60173002NSC 205448RefChem:90535DTXCID2095493AWZJXXWDKOAELM-UHFFFAOYSA-N1939-21-52-Phenyl-N-[3-(trifluoromethyl)phenyl]acetamide3'-(Trifluoromethyl)-2-phenylacetanilide2-Phenyl-N-(3-(trifluoromethyl)phenyl)acetamideBenzeneacetamide,N-[3-(trifluoromethyl)phenyl]-3/'-Trifluoromethyl-2-phenylacetanilide
Show more names
SKL795TIMTEC-BB SBB0081032-PHENYL-3'-(TRIFLUOROMETHYL)ACETANILIDEN-[3-(Trifluoromethyl)phenyl]benzeneacetamideBenzeneacetamide, N-[3-(trifluoromethyl)phenyl]-2-phenyl-N-[3-(trifluoromethyl)phenyl]ethanamide3′-(Trifluoromethyl)-2-phenylacetanilide, CAS 1939-21-5
MFCD00043457NSC205448SCHEMBL29550745SBB008103STK401895AKOS003236901NSC-205448CS-0324072
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 324
Experimental & physicochemical properties
LogP3.84
Physicochemical properties
- Melting point
- 83 · 83-84 °C
- Boiling point
- 412.9 · 412.9±45.0 °C(Predicted)
- Density
- 1.288 · 1.288±0.06 g/cm3(Predicted)
- pka
- 14.45 · 14.45±0.70(Predicted)
- form
- powder
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P261
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2924297099 · 2924297099
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
Warning
H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (97.5%)
Safety data
- hs_code
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P261
Chemistry & industry
Suppliers10 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [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]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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