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Basic information
- CAS
831-75-4- Standard SMILES
Nc1cccc(OC(F)(F)C(F)F)c1- InChIKey
MWDPEBMCVXNSPL-UHFFFAOYSA-N- Molecular formula
- C8H7F4NO
- Average molar mass
- 209.14 g/mol
- Monoisotopic mass
- 209.04637672
Names & identifiers
- Preferred name
- 3-(1,1,2,2-Tetrafluoroethoxy)aniline
- IUPAC
- 3-(1,1,2,2-tetrafluoroethoxy)aniline
- English name
- 3-(1,1,2,2-Tetrafluoroethoxy)aniline
- Molecular formula
- C8H7F4NO
- Molecular weight
- 209.14
Names & synonyms
3-(1,1,2,2-Tetrafluoroethoxy)anilineEINECS 212-610-6Benzenamine, 3-(1,1,2,2-tetrafluoroethoxy)-3-(1,1,2,2-Tetrafluoroethoxy)benzenamineRefChem:489132212-610-6831-75-4MFCD000424573-(1,1,2,2-tetrafluoroethoxy)phenylamineSCHEMBL15603-(tetrafluoroethoxy)anilineDTXSID7061196
Show more names
3-ethoxy aniline tetrafluorobenzoic3-(1,1,2,2-Tetrafluoroethoxy)aniline98%3-(1,1,2,2-Tetrafluoroethoxy)aniline 98%3-(1,1,2,2-tetrafluoroethoxy)-benzenamin3-(1,1,2,2-Tetrafluoroethoxy)aniline,97%3-(1,1,2,2-TETRAFLUOROETHOXY)ANILINE ISO 9001：2015 REACH
SCHEMBL30829042SBB062005AKOS015891044AT23341FT69845PS-80273-(1,1,2,2-tetrafluoro-ethoxy)-anilineDB-056690
Database identifiers
- CAS
831-75-4- PubChem CID
- 70023
- DTXSID
DTXSID7061196- EC Number
- 212-610-6
- Nikkaji
- J195.097E
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Boiling point
- 100 °C/7 · 100 °C/7 mmHg (lit.)
- Density
- 1.358 g/mL · 1.358 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.464(lit.)
- Flash point
- 230 °F · >230 °F
- pka
- 3.68 · 3.68±0.10(Predicted)
- form
- liquid
- color
- Clear
- InChI
- 1S/C8H7F4NO/c9-7(10)8(11,12)14-6-3-1-2-5(13)4-6/h1-4,7H,13H2
- InChIKey
- MWDPEBMCVXNSPL-UHFFFAOYSA-N
- SMILES
- Nc1cccc(OC(F)(F)C(F)F)c1
- CAS DataBase Reference
- 831 · 831-75-4(CAS DataBase Reference)
- EPA Substance Registry System
- 3 · Benzenamine, 3-(1,1,2,2-tetrafluoroethoxy)- (831-75-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
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 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzenamine, 3-(1,1,2,2-tetrafluoroethoxy)-
S - indicates a substance that is identified in a final Significant New Use Rule.
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2810
- hs_code
- 29222990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- hazard_note
- Toxic
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 3-(1,1,2,2-tetrafluoroethoxy)-: INACTIVE
Applications
Uses3-(1,1,2,2-Tetrafluoroethoxy)aniline may be used in chemical synthesis.
General Description3-(1,1,2,2-Tetrafluoroethoxy)aniline is an organic fluorinated building block.
Suppliers31 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Related reactions
5 records
Compound notes
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