Basic information
- CAS
239087-05-9- Standard SMILES
NCc1ccc(C(F)(F)F)cc1F- InChIKey
MQTBAGAVFDZXKF-UHFFFAOYSA-N- Molecular formula
- C8H7F4N
- Average molar mass
- 193.14 g/mol
- Monoisotopic mass
- 193.0514621
Names & identifiers
- Preferred name
- 2-Fluoro-4-(trifluoromethyl)benzylamine
- IUPAC
- [2-fluoro-4-(trifluoromethyl)phenyl]methanamine
- English name
- 2-FLUORO-4-(TRIFLUOROMETHYL)BENZYLAMINE
- Molecular formula
- C8H7F4N
- Molecular weight
- 193.14
Names & synonyms
239087-05-92-Fluoro-4-(trifluoromethyl)benzylamineDTXSID90372147RefChem:260916DTXCID00323180(2-fluoro-4-(trifluoromethyl)phenyl)methanamine[2-fluoro-4-(trifluoromethyl)phenyl]methanamine2-Fluoro-4-trifluoromethylbenzylamineMFCD00070807Benzenemethanamine, 2-fluoro-4-(trifluoromethyl)-CLODRONICACID[2-fluoro-4-(trifluoromethyl)phenyl]methylamine
Show more names
RARECHEM AL BW 06662-Fluoro-4-(trifluoromethyl)benzylamine97%2-Fluoro-4-(trifluoromethyl)benzylamine 97%2-Fluoro-4-(trifluoromethyl)benzenemethanamine
SCHEMBL507107SCHEMBL79771341-[2-FLUORO-4-(TRIFLUOROMETHYL)PHENYL]METHANAMINECL8679SBB091545AKOS006229018PS-8324SY019200
Database identifiers
- CAS
239087-05-9- PubChem CID
- 2737566
- DTXSID
DTXSID90372147- EC Number
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Boiling point
- 184.9 · 184.9±35.0 °C(Predicted)
- Density
- 1.312 · 1.312±0.06 g/cm3(Predicted)
- refractive index
- 1.4508 · 1.4508
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- 8.18 · 8.18±0.10(Predicted)
- form
- liquid
- color
- Colourless
- Sensitive
- Air Sensitive
- CAS DataBase Reference
- 239087 · 239087-05-9(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
- Hazard Codes
- C,Xi
- Risk Statements
- 34 · 34
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 4 reports by companies from 1 notifications to the ECHA C&L Inventory.
Safety data
- ridadr
- 2735
- hs_code
- 2921490090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi
- hazard_note
- Corrosive/Store under nitrogen
- safety_code
- 26-36/37/39
- 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
Upstream & downstream products
Upstream raw materials
Suppliers76 total
上海康恩博医药科技有限公司17510465506 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Related reactions
7 records
Compound notes
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