3-[3-(Trifluoromethyl)benzenesulfonamido]propanoic acid
Basic information
- CAS
612042-13-4- Standard SMILES
O=C(O)CCNS(=O)(=O)c1cccc(C(F)(F)F)c1- InChIKey
XNOHFTISYMPZGD-UHFFFAOYSA-N- Molecular formula
- C10H10F3NO4S
- Average molar mass
- 297.25 g/mol
Names & identifiers
- Preferred name
- 3-[3-(Trifluoromethyl)benzenesulfonamido]propanoic acid
- IUPAC
- 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
- English name
- N-[3-(TrifluoroMethyl)phenylsulfonyl]-^b-alanine, 96%
- Molecular formula
- C10H10F3NO4S
- Molecular weight
- 297.25
Names & synonyms
612042-13-43-[3-(trifluoromethyl)benzenesulfonamido]propanoic acid3-(3-(trifluoromethyl)benzenesulfonamido)propanoic acidRefChem:491675691-933-83-((3-(trifluoromethyl)phenyl)sulfonamido)propanoic acid3-(3-(trifluoromethyl)phenylsulfonamido)propanoic acid3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acidMFCD036201343-(3-Trifluoromethyl-benzenesulfonylamino)-propionic acidIFLab1_005619HMS1427P09
Show more names
N-[3-(Trifluoromethyl)phenylsulfonyl]-^b-alanine,96%N-[3-(TrifluoroMethyl)phenylsulfonyl]-^b-alanine, 96%N-[3-(TrifluoroMethyl)phenylsulfonyl]-^b-alanine, 96% USP/EP/BP
AKOS000805736SB82575IDI1_011022NCGC00329040-01EU-0082269ST50133616EN300-04090AB01322989-02
Database identifiers
- CAS
612042-13-4- PubChem CID
- 697903
- EC Number
- 691-933-8
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 415
Physicochemical properties
- Melting point
- 113 · 113-115℃
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 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 CategoriesAcute Tox. 4 (20%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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