Basic information
- CAS
782495-18-5- Standard SMILES
O=S(=O)(NC[C@@H]1CCCN1)C(F)(F)F- InChIKey
RIWFUAUXWIEOTK-YFKPBYRVSA-N- Molecular formula
- C6H11F3N2O2S
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.04933326
Names & identifiers
- Preferred name
- N-[(2S)-2-Pyrrolidinylmethyl]-trifluoromethanesulfonamide
- IUPAC
- 1,1,1-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide
- English name
- N-[(2S)-2-Pyrrolidinylmethyl]-trifluoromethanesulfonamide
- Molecular formula
- C6H11F3N2O2S
- Molecular weight
- 232.22
Names & synonyms
N-[(2S)-2-PYRROLIDINYLMETHYL]-TRIFLUOROMETHANESULFONAMIDEN-((2S)-2-Pyrrolidinylmethyl)-trifluoromethanesulfonamideRefChem:822935636-067-3782495-18-5(S)-1,1,1-Trifluoro-N-(pyrrolidin-2-ylmethyl)methanesulfonamide1,1,1-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamideMFCD11656045DTXSID10463763C6H11F3N2O2SDS-2448N-[(2S)-2-Pyrrolidinylmethyl]trifluoromethanesulfonamide
Show more names
S)-1,1,1-Trifluoro-N-(pyrrolidin-2-ylMethyl)MethanesulfonaMideN-[(2S)-2- Pyrrolidinylmethyl]trifluoromethanesulfonamide,99%e.e.Methanesulfonamide, 1,1,1-trifluoro-N-[(2S)-2-pyrrolidinylmethyl]-N-[(2S)-2-PyrrolidinylMethyl]-trifluoroMethanesulfonaMide, ee:98.5%N-[(2S)-2-PyrrolidinylMethyl]-trifluoroMethanesulfonaMide >=98.5% (T)N-[(2S)-2-Pyrrolidinylmethyl]-trifluoromethanesulfonamide, 98.5%, ee: 98.5%
1,1,1-Trifluoro-N-{[(2S)-pyrrolidin-2-yl]methyl}methanesulfonamide1,1,1-Tris(Fluoranyl)-~{n}-[[(2~{s})-Pyrrolidin-2-Yl]methyl]methanesulfonamideA865069SCHEMBL809421RIWFUAUXWIEOTK-YFKPBYRVSA-NAKOS016004019SY077360DB-075442
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Boiling point
- 249.6 · 249.6±50.0 °C(Predicted)
- Density
- 1.377 · 1.377±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- 5.51 · 5.51±0.40(Predicted)
- form
- powder
- Appearance
- White to off-white Solid
- optical activity
- 13 · [α]/D +13±1°, c = 1 in methanol
- InChI
- 1S/C6H11F3N2O2S/c7-6(8,9)14(12,13)11-4-5-2-1-3-10-5/h5,10-11H,1-4H2/t5-/m0/s1
- InChIKey
- RIWFUAUXWIEOTK-YFKPBYRVSA-N
- SMILES
- FC(F)(F)S(=O)(=O)NC[C@@H]1CCCN1
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3263 8/PG 3
- hs_code
- 29350090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H314
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Chemistry & industry
Suppliers41 total
武汉贺景行生物科技有限公司027-13277920701 13277920701 · [email protected]
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]
Hubei Lidu New Material Technology Co., Ltd+86-19307248857 +86-19307248857 · [email protected]
南通先行生物医药科技有限公司513-85982855 18921614129 · [email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海铱鑫医药科技有限公司13671725141 · [email protected]
北京绿百草科技发展有限公司010-61136123 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
上海迪外化工科技有限公司021-61551100
Qingdao Dexin Chemical Co., Ltd
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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