Basic information
- CAS
168644-93-7- Standard SMILES
NCc1cc(F)c(F)cc1F- InChIKey
BLJQJQNRXILVTA-UHFFFAOYSA-N- Molecular formula
- C7H6F3N
- Average molar mass
- 161.12 g/mol
- Monoisotopic mass
- 161.04523368
Names & identifiers
- Preferred name
- 2,4,5-Trifluorobenzylamine
- IUPAC
- (2,4,5-trifluorophenyl)methanamine
- English name
- 2,4,5-TRIFLUOROBENZYL AMINE
- Molecular formula
- C7H6F3N
- Molecular weight
- 161.12
Names & synonyms
2,4,5-Trifluorobenzylamine168644-93-7DTXSID30380347RefChem:245571DTXCID703313732,4,5-trifluorobenzyl amine(2,4,5-trifluorophenyl)methanamineBenzenemethanamine, 2,4,5-trifluoro-MFCD002363161-(2,4,5-trifluorophenyl)methanamine(2,4,5-trifluorophenyl)methylamineSCHEMBL620593
Show more names
Benzenemethanamine, 2,4,5-trifluoro- (9CI)(2,4,5-trifluorophenyl)methanamine - [AC80911]
SCHEMBL620594BLJQJQNRXILVTA-UHFFFAOYSA-NCK2433SBB028344AKOS006227999SB76356AS-15004SY062501
Database identifiers
- CAS
168644-93-7- PubChem CID
- 2777044
- DTXSID
DTXSID30380347- EC Number
- 671-906-7
- Nikkaji
- J673.252F
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
- 274 · 274-275℃
- Boiling point
- 55 °C/1mm · 55°C/1mm
- Density
- 1.32 · 1.320
- Flash point
- 55 °C/1mm · 55°C/1mm
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 8.32 · 8.32±0.10(Predicted)
- form
- liquid
- color
- Clear, colourless
- Sensitive
- Air Sensitive
- CAS DataBase Reference
- 168644 · 168644-93-7
- 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
- Xi
- RIDADR
- 2735 · UN2735
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 5 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
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- 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
Suppliers61 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [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]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [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]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
Related reactions
1 records
Compound notes
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