Basic information
- CAS
67815-56-9- Standard SMILES
Nc1c(F)ccc(F)c1F- InChIKey
RGUGZPYYMOAJLO-UHFFFAOYSA-N- Molecular formula
- C6H4F3N
- Average molar mass
- 147.1 g/mol
- Monoisotopic mass
- 147.02958379
Names & identifiers
- Preferred name
- 2,3,6-Trifluoroaniline
- IUPAC
- 2,3,6-trifluoroaniline
- English name
- 2,3,6-TRIFLUOROANILINE
- Molecular formula
- C6H4F3N
- Molecular weight
- 147.1
Names & synonyms
2,3,6-Trifluoroaniline67815-56-9DTXSID50334908RefChem:441863DTXCID60285997620-860-6MFCD00012369Benzenamine, 2,3,6-trifluoro-2,3,6-TRIFLUORO-PHENYLAMINESCHEMBL111957TD1062AKOS006221426
Show more names
2, 3, 6-trifluorobenzene2,3,6-Trifluoroaniline98%2,3,6-Trifluoroaniline 98%2,3,6-Trifluoroaniline,99%2,3,6-TRIFLUOROANILINE ISO 9001：2015 REACH
CS-W016349AC-3704PS-10206SY0119882,3,6-trifluorophenylamineBenzenamine, 2,3,6-trifluoro- (9CI)AM62075FT-0609477
Database identifiers
- CAS
67815-56-9- PubChem CID
- 522283
- DTXSID
DTXSID50334908- EC Number
- 620-860-6
- Nikkaji
- J621.196H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- Melting point
- 215 · 215-217°C
- Boiling point
- 150 · 150-151°C
- Density
- 1.39 g/mL · 1.39 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.487(lit.)
- Flash point
- 142 °F · 142 °F
- storage temp.
- 2 · 2-8°C
- form
- liquid
- pka
- 0.8 · 0.80±0.10(Predicted)
- Specific Gravity
- 1.39 · 1.390
- color
- Colourless
- BRN
- 4976936 · 4976936
- InChI
- InChI=1S/C6H4F3N/c7-3-1-2-4(8)6(10)5(3)9/h1-2H,10H2
- InChIKey
- RGUGZPYYMOAJLO-UHFFFAOYSA-N
- SMILES
- C1(N)=C(F)C=CC(F)=C1F
- CAS DataBase Reference
- 67815 · 67815-56-9(CAS DataBase Reference)
- Symbol(GHS)
- 6 · GHS06,GHS08
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- ridadr
- 2941
- hs_code
- 29214200
- risk_code
- 22-36/37/38-41-38-21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 26-36-36/37/39
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H227-H302-H312-H315-H319-H331-H373
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Chemistry & industry
Applications
Uses2,3,6-Trifluoroaniline is used in preparation of sirt6 small-molecule allosteric activators.
Suppliers88 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广东百科试剂有限公司13532366769 13686183698 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [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]
Related reactions
8 records
Compound notes
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