Basic information
- CAS
23384-04-5- Standard SMILES
O=S(=O)(Nc1ccc(Cl)cc1)C(F)(F)F- InChIKey
BBAZFSJXFYFJDS-UHFFFAOYSA-N- Molecular formula
- C7H5ClF3NO2S
- Average molar mass
- 259.63 g/mol
- Monoisotopic mass
- 258.9681618
Names & identifiers
- Preferred name
- Methanesulfonamide, N-(4-chlorophenyl)-1,1,1-trifluoro-
- IUPAC
- N-(4-chlorophenyl)-1,1,1-trifluoromethanesulfonamide
- English name
- N-(4-Chlorophenyl)-1,1,1-trifluoromethanesulfonamide
- Molecular formula
- C7H5ClF3NO2S
- Molecular weight
- 259.63
Names & synonyms
N-(4-Chlorophenyl)-1,1,1-trifluoromethanesulfonamideBRN 2127624Methanesulfonamide, N-(4-chlorophenyl)-1,1,1-trifluoro-DTXSID20177945RefChem:352254DTXCID80100436810-901-823384-04-5N-(4-Chlorophenyl)-1,1,1-trifluoro-methanesulfonamideMFCD00856978SCHEMBL7524156BBAZFSJXFYFJDS-UHFFFAOYSA-N
Show more names
AKOS025395531MS-20711N-(4-chlorophenyl)(trifluoro)methanesulfonamideAF-399/32653057
Database identifiers
- CAS
23384-04-5- PubChem CID
- 90083
- DTXSID
DTXSID20177945- EC Number
- 810-901-8
- Nikkaji
- J549.719A
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 303
Experimental & physicochemical properties
LogP3.96
Physicochemical properties
- Melting point
- 50.5 · 50.5-51.5 °C
- Boiling point
- 265.8 · 265.8±50.0 °C(Predicted)
- Density
- 1.64 · 1.640±0.06 g/cm3(Predicted)
- pka
- 3.82 · 3.82±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331
- HS Code
- 2935909099 · 2935909099
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
H301+H311+H331 (100%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- hs_code
- 2935909099
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS06
- Hazard statements
- H301+H311+H331
Chemistry & industry
Suppliers3 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
宁波泽宇化工科技有限公司15066123231 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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