Basic information
- CAS
230295-09-7- Standard SMILES
NCc1c(F)ccc(F)c1F- InChIKey
ITWONDJIBWNPOK-UHFFFAOYSA-N- Molecular formula
- C7H6F3N
- Average molar mass
- 161.12 g/mol
- Monoisotopic mass
- 161.04523368
Names & identifiers
- Preferred name
- 2,3,6-Trifluorobenzylamine
- IUPAC
- (2,3,6-trifluorophenyl)methanamine
- English name
- 2,3,6-TRIFLUOROBENZYLAMINE
- Molecular formula
- C7H6F3N
- Molecular weight
- 161.12
Names & synonyms
2,3,6-Trifluorobenzylamine230295-09-7DTXSID70380346RefChem:441869DTXCID10331372671-905-1(2,3,6-trifluorophenyl)methanamineBENZENEMETHANAMINE, 2,3,6-TRIFLUORO-MFCD002363152,3,6-trifluoro-benzylamine1-(2,3,6-trifluorophenyl)methanamineSCHEMBL622777
Show more names
RARECHEM AL BW 02972,3,6-Trifluorobenzylamine98%Benzenemethanamine, 2,3,6-trifluoro- (9CI)
2,3,6-trifluorobenzyl amineAKOS006229799(2,3,6-trifluorophenyl)methylamineSCHEMBL622776SCHEMBL28855069SBB028343MB010692,3,6-Trifluorobenzylamine, AldrichCPR
Database identifiers
- CAS
230295-09-7- PubChem CID
- 2777043
- DTXSID
DTXSID70380346- EC Number
- 671-905-1
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Melting point
- 280 · 280-281℃
- Boiling point
- 172 ℃ · 172℃
- Density
- 1.32 · 1.320
- Flash point
- 67 ℃ · 67℃
- storage temp.
- 2 · 2-8°C
- pka
- 7.95 · 7.95±0.10(Predicted)
- form
- liquid
- color
- Clear, almost colourless
- Sensitive
- Air Sensitive
- InChI
- 1S/C7H6F3N/c8-5-1-2-6(9)7(10)4(5)3-11/h1-2H,3,11H2
- InChIKey
- ITWONDJIBWNPOK-UHFFFAOYSA-N
- SMILES
- NCc1c(F)ccc(F)c1F
- CAS DataBase Reference
- 230295 · 230295-09-7(CAS DataBase Reference)
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
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, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 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 Corr. 1B (100%)
Safety data
- wgk
- WGK 3
- ridadr
- UN2735
- hs_code
- 2921490090
- risk_code
- 36/37/38-41-38-25
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi,T
- hazard_note
- Irritant
- safety_code
- 26-36-45-36/37/39
- hazard_class
- 8
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H314-H318
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Chemistry & industry
Suppliers60 total
上海康恩博医药科技有限公司17510465506 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [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]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Aladdin Scientific[email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
3 records
Compound notes
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