Basic information
- CAS
122833-60-7- Standard SMILES
O=S(=O)(N[C@@H]1CCCC[C@H]1NS(=O)(=O)C(F)(F)F)C(F)(F)F- InChIKey
GKSGSDYYIYURPD-PHDIDXHHSA-N- Molecular formula
- C8H12F6N2O4S2
- Average molar mass
- 378.3 g/mol
- Monoisotopic mass
- 378.01426818
Names & identifiers
- Preferred name
- (1R)-trans-N,N'-1,2-Cyclohexanediylbis(1,1,1-trifluoromethanesulfonamide)
- IUPAC
- 1,1,1-trifluoro-N-[(1R,2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]methanesulfonamide
- English name
- (1R)-trans-N N'-1 2-cyclohexanediylbis-&
- Molecular formula
- C8H12F6N2O4S2
- Molecular weight
- 378.31
Names & synonyms
122833-60-7(1R)-trans-N,N'-1,2-Cyclohexanediylbis(1,1,1-trifluoromethanesulfonamide)DTXSID40454846RefChem:204929DTXCID30405665623-938-81,1,1-trifluoro-N-[(1R,2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]methanesulfonamideN,N'-((1R,2R)-Cyclohexane-1,2-diyl)bis(1,1,1-trifluoromethanesulfonamide)164321-91-9Methanesulfonamide, N,N'-(1R,2R)-1,2-cyclohexanediylbis[1,1,1-trifluoro-, rel-N,N'-[(1R,2R)-Cyclohexane-1,2-diyl]bis(1,1,1-trifluoromethanesulfonamide)(r,r)-cyclohexane
Show more names
N,N'-(1R,2R)-1,2-Cy(1R)-trans-N N'-1 2-cyclohexanediylbis-&(R,R)-1,2-Bis(trifluoromethanesulfonamido)cyclohexane(1R)-TRANS-N N'-1 2-CYCLOHEXANEDIYLBIS-& ISO 9001：2015 REACH1,1,1-trifluoro-N-[(1R,2R)-2-(trifluoromethylsulfonylamino)c...(1R,2R)-N,N'-Bis(trifluoromethanesulfonyl)-1,2-cyclohexanediamineN,N'-(1R,2R)-1,2-Cyclohexanediylbis[1,1,1-trifluoromethanesulfonamideN,N'-(1R,2R)-1,2-Cyclohexanediylbis[1,1,1-trifluoromethanesulfonamide]
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 532
Physicochemical properties
- Melting point
- 185 · 185-187 °C (lit.)
- Boiling point
- 345.8 · 345.8±52.0 °C(Predicted)
- Density
- 1 · 1+-.0.1 g/cm3(Predicted)
- pka
- 5.55 · 5.55±0.40(Predicted)
- optical activity
- 20 · [α]20/D 6.1°, c = 5 in ethanol
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers20 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
北京绿百草科技发展有限公司010-61136123 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海凯睿生物科技有限公司021-5068 3667/17749785980/1029026415; 17749785980 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
河南拉瓦锡化工产品有限公司
Related reactions
1 records
Compound notes
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