Basic information
- CAS
214759-21-4- Standard SMILES
NCc1c(F)cc(F)cc1F- InChIKey
RCHOKTKXVKKNBC-UHFFFAOYSA-N- Molecular formula
- C7H6F3N
- Average molar mass
- 161.12 g/mol
- Monoisotopic mass
- 161.04523385
Names & identifiers
- Preferred name
- 2,4,6-Trifluorobenzylamine
- IUPAC
- (2,4,6-trifluorophenyl)methanamine
- English name
- 2,4,6-Trifluorobenzyl amine
- Molecular formula
- C7H6F3N
- Molecular weight
- 161.12
Names & synonyms
2,4,6-TrifluorobenzylamineRefChem:442916679-198-1214759-21-4(2,4,6-trifluorophenyl)methanamine2,4,6-Trifluorobenzyl amineMFCD00236317Benzenemethanamine, 2,4,6-trifluoro-BBD24FMX8BSCHEMBL8570452,4,6-TrifluorobenzenemethanamineAKOS009157965
Show more names
RARECHEM AL BW 0429Chlorfenvinphos Impurity 72,4,6-trifluorobenzylaminine(2,4,6-Trifluorophenyl)methylamine2,4,6-Trifluorobenzylamine 98% GCBenzenemethanamine, 2,4,6-trifluoro- (9CI)
AC-30683CS-0034440EN300-2247591-(2,4,6-Trifluorophenyl)methylamine2,4,6-Trifluorobenzyl aminAMY12366Benzenemethanamine, 2,4,6-trifluoro-; 2,4,6-Trifluorobenzenemethanamine; (2,4,6-Trifluorophenyl)methanamine; 2,4,6-Trifluorobenzylamine2,4,6-Trifluorob
Database identifiers
- CAS
214759-21-4- PubChem CID
- 2777046
- DTXSID
DTXSID90380348- UNII
- BBD24FMX8B
- EC Number
- 679-198-1
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
- 119
Physicochemical properties
- Boiling point
- 165 ℃ · 165℃
- Density
- 1.32 · 1.320
- Flash point
- 63 ℃ · 63℃
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 8.16 · 8.16±0.10(Predicted)
- form
- liquid
- color
- Colourless
- Water Solubility
- Slightly Soluble in water (1.2 g/L) (25°C).
- Sensitive
- Air Sensitive
- Stability
- Air Sensitive
- InChI
- InChI=1S/C7H6F3N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H,3,11H2
- InChIKey
- RCHOKTKXVKKNBC-UHFFFAOYSA-N
- SMILES
- C1(CN)=C(F)C=C(F)C=C1F
- FDA UNII
- 24 FMX8B · BBD24FMX8B
- Symbol(GHS)
- 5 · GHS05
- Signal word
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, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- ridadr
- UN2735
- hs_code
- 2921490090
- risk_code
- 34
- Signal word
- Warning
- Symbol(GHS)
- GHS05
- hazard_code
- Xi,C
- hazard_note
- Irritant
- safety_code
- 20-26-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H314-H318
- 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)
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesUsed to prepare dyes. Industrially used in natural gas and refinery process streams. They also are used in polymer industry as monomers. Amines find use as additives for lubricating oils, engine fuels, and asphalt, and are producers of ethanolamines.
Uses2,4,6-Trifluorobenzylamine can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
阜新孚隆宝医药科技有限公司
Related reactions
7 records
Compound notes
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