Basic information
- Standard SMILES
FC(F)(F)c1cccnc1N1CCNCC1- InChIKey
FRFKCMNQNNNZNO-UHFFFAOYSA-N- Molecular formula
- C10H12F3N3
- Average molar mass
- 231.22 g/mol
- Monoisotopic mass
- 231.09833204
Names & identifiers
- Preferred name
- 1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine
- IUPAC
- 1-[3-(trifluoromethyl)-2-pyridinyl]piperazine
- English name
- 1-[3-(TRIFLUOROMETHYL)PYRID-2-YL]PIPERAZINE
- Molecular formula
- C10H12F3N3
- Molecular weight
- 231.22
Names & synonyms
1-[3-(trifluoromethyl)pyridin-2-yl]piperazine1-(3-(trifluoromethyl)pyridin-2-yl)piperazine1-[3-(trifluoromethyl)-2-pyridinyl]piperazineDTXSID7010075231-(3-(Trifluoromethyl)-2-pyridinyl)piperazineRefChem:428915DTXCID601434375989-456-887394-63-61-[3-(Trifluoromethyl)pyrid-2-yl]piperazineMFCD001147051-(3-Trifluoromethyl-pyridin-2-yl)-piperazine
Show more names
BUTTPARK 27\08-971-(3-Trifluoromethyl-pyridin-2-yl)-p6 1-[3-(Trifluoromethyl)pyrid-2-yl]piperazine1-(3-Trifluoromethyl-2-pyridyl)piperazine 2HCl2-(Piperazin-1-yl)-3-(trifluoromethyl)pyridine1-[3-(Trifluoromethyl)pyridine-2-yl]piperazine1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine99%
1-[3-(trifluoromethyl)-2-pyridyl]piperazineCHEMBL456631-(3-trifluoromethylpyridin-2-yl)piperazine[3-(trifluoromethyl)-2-pyridyl]piperazine1-(3-(trifluoromethyl)-2-pyridyl)piperazine49NSCHEMBL233710SCHEMBL1366662
Database identifiers
- CAS
87394-63-6- PubChem CID
- 2777786
- DTXSID
DTXSID201380746- ChEMBL
CHEMBL45663- EC Number
- 989-456-8
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Melting point
- 45 · 45-47°C
- Boiling point
- 106 °C · 106°C 1,5mm
- Density
- 1.253 · 1.253±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.41 · 8.41±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- CAS DataBase Reference
- 87394 · 87394-63-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- Hazard Codes
- Xi,T
- Risk Statements
- 36 · 36/37/38-25
- Safety Statements
- 26 · 26-36/37/39-45
- Hazard Note
- Irritant
- HS Code
- 29339900 · 29339900
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 29339900
- risk_code
- 36/37/38-25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-45
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers23 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海默达医药科技有限公司+86 (0)21 51320687 51371369 1744605818
九鼎化学（上海）科技有限公司4009209199 · [email protected]
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苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
淮安海玻瑞恩医药研发有限公司18114966287 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
成都圣美凯生物科技有限公司028-85157043 15882256948 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
郑州研德生物科技有限公司13298105281 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
104 records
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