Basic information
- CAS
37595-74-7- Standard SMILES
O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F- InChIKey
DIOHEXPTUTVCNX-UHFFFAOYSA-N- Molecular formula
- C8H5F6NO4S2
- Average molar mass
- 357.3 g/mol
- Monoisotopic mass
- 356.95641896
Names & identifiers
- Preferred name
- Phenyl triflimide
- IUPAC
- 1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide
- English name
- N-Phenyl-bis(trifluoromethanesulfonimide)
- Molecular formula
- C8H5F6NO4S2
- Molecular weight
- 357.25
Names & synonyms
37595-74-7N,N-Bis(trifluoromethylsulfonyl)anilinePhenyl triflimide1,1,1-Trifluoro-N-phenyl-N-((trifluoromethyl)sulfonyl)methanesulfonamideN-PhenyltrifluoromethanesulfonimideN,N-Bis(trifluoromethanesulfonyl)anilineTf2NPhN-Phenylbis(trifluoromethanesulphonimide)n-phenyltriflimide1,1,1-Trifluoro-N-phenyl-N-[(trifluoromethyl)sulfonyl]methanesulfonamideTIC0LRR43XNSC 240874
Show more names
PhNTf2N-PHENYLBIS(TRIFLUOROMETHANESULFONIMIDE)1,1,1-trifluoro-N-phenyl-N-trifluoromethanesulfonylmethanesulfonamidephenyltrifluoromethanesulfonimidetrifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamideN-PHENYLT
NSC-240874phenyl bis((trifluoromethyl)sulfonyl)aminePHENYL TRIFLIMIDE [MI]N-phenyltrifluoromethylsulfonimideDTXSID70191030EC 609-445-0n,n-bis(trifluoromethylsulfonyl)phenylamine1,1,1-Trifluoro-N-phenyl-N-((trifluoromethyl)sulfonyl)methane sulfonamide
Database identifiers
- CAS
37595-74-7- PubChem CID
- 142176
- DTXSID
DTXSID70191030- UNII
- TIC0LRR43X
- EC Number
- 609-445-0
- Nikkaji
- J267.288J
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 518
Experimental & physicochemical properties
PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
Physicochemical properties
- Melting point
- 100 · 100-102 °C(lit.)
- Boiling point
- 305.3 · 305.3±52.0 °C(Predicted)
- Density
- 1.766 · 1.766±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Soluble in methanol. Slightly soluble in chloroform and ethyl acetate.
- form
- Crystals or Crystalline Powder
- pka
- -13.12 · -13.12±0.50(Predicted)
- color
- White or colorless
- Sensitive
- Moisture Sensitive
- BRN
- 1269141 · 1269141
- Stability
- Moisture Sensitive
- InChI
- InChI=1S/C8H5F6NO4S2/c9-7(10,11)20(16,17)15(6-4-2-1-3-5-6)21(18,19)8(12,13)14/h1-5H
- InChIKey
- DIOHEXPTUTVCNX-UHFFFAOYSA-N
- SMILES
- C(F)(F)(F)S(N(C1=CC=CC=C1)S(C(F)(F)F)(=O)=O)(=O)=O
- CAS DataBase Reference
- 37595 · 37595-74-7(CAS DataBase Reference)
- FDA UNII
- 0 LRR43X · TIC0LRR43X
- NIST Chemistry Reference
- N-phenyltrifluoromethanesulfonimide(37595-74-7)
- UNSPSC Code
- 12352002 · 12352002
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- F
- 21 · 21
- TSCA
- No
- HazardClass
- IRRITANT
- HS Code
- 29242100 · 29242100
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
Safety & regulation
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 55 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 17-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/16472
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 21
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- No
- hs_code
- 29242100
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
DescriptionN-Phenylbis(trifluoromethanesulfonimide) acts as a mild triflating reagent as well as a transparent strong electron-withdrawing p-type dopant in carbon nanotubes. It is also employed as a reactant for the preparation of amphoteric alfa-boryl aldehydes. It plays an important role in the enantioselective synthesis of the core ring skeleton of leucosceptroids A-D and in steroselective sulfoxidation.
UsesN-Phenylbis(trifluoromethanesulfonamide) is used in the enantioselective synthesis of β-amino acids via the Mannich reaction. Used in the synthesis of sphingosine 1-phosphate-1 receptor agonists useful in pharmaceutical application.
UsesActs as a transparent strong electron-withdrawing p-type dopant in carbon nanotubesReactant for: Synthesis of amphoteric alpha-boryl aldehydes Enantioselective synthesis of core ring skeleton of leucosceptroids A-D Stereoselective synthesis of monoamine reuptake inhibitor NS9544 acetate Stereoselective sulfoxidation
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
上海拓磊化学试剂有限公司86-021-50318510
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
上海长根化学科技有限公司021-69106814 13917161715
上海西浦化工有限公司+86 (21) 6715-7650 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
山东君泰药业有限公司18963498209 18963498209 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
上海忆嵘生物科技有限公司18049974220 · [email protected]
苏州莱安医药化学技术有限公司0512-68780025 18962125825 · [email protected]
江西国化医药科技有限公司0794-7183888 13155888520
山东西亚化学有限公司13355009207 13355009207 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
武汉科美沃化工有限公司027-85736489 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
广州科瑞生物技术有限公司20-66003216 18666003216 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
上海昊锐医药生物科技有限公司021-58388037;21-58388037 13472507714 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
烟台恒诺新材料有限公司0535-6397790 18653519533 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
苏州思变化学技术有限公司0512-65617459 18915409046 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
南京诺利斯医药科技有限公司13901585132 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
Related reactions
72 records
Compound notes
Loading…