Basic information
- CAS
306934-70-3- Standard SMILES
FC(F)(F)c1ccc(N2CCCNCC2)nc1- InChIKey
IBMSHQVIAUTKDL-UHFFFAOYSA-N- Molecular formula
- C11H14F3N3
- Average molar mass
- 245.24 g/mol
- Monoisotopic mass
- 245.11398211
Names & identifiers
- Preferred name
- 1-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepane
- IUPAC
- 1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
- English name
- 1-[5-(Trifluoromethyl)pyrid-2-yl]-1,4-diazepane
- Molecular formula
- C11H14F3N3
- Molecular weight
- 245.24
Names & synonyms
306934-70-31-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane1-[5-(Trifluoromethyl)Pyrid-2-Yl]-1,4-Diazepane1-(5-(Trifluoromethyl)pyridin-2-yl)-1,4-diazepane1-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepaneMFCD006617831-[5-(Trifluoromethyl)pyridin-2-yl]homopiperazine1-(5-trifluoromethyl-pyridin-2-yl)-[1,4]diazepaneorb3030651SCHEMBL2155294SCHEMBL3559852SCHEMBL30567235
Show more names
1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane1-[5-(Trifluoromethyl)-2-pyridyl]-1,4-diazepane , 95+%Hexahydro-1-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,4-diazepine1H-1,4-Diazepine, hexahydro-1-[5-(trifluoromethyl)-2-pyridinyl]-1-[5-(TRIFLUOROMETHYL)PYRID-2-YL]-1,4-DIAZEPANE ISO 9001：2015 REACH
DTXSID00375346Fr13569BUTTPARK 27\08-100SBB099990STK711114AKOS000264520FS-1465WAY-663353
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Melting point
- 50 °C · 50 °C
- Boiling point
- 110 °C · 110 °C
- Density
- 1.212 · 1.212±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- low melting solid
- pka
- 10.23 · 10.23±0.20(Predicted)
- color
- Pale yellow
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302+H312+H332-H314
- Precautionary statements
- 260 · P260-P271-P280
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- HS Code
- 2933399990 · 2933399990
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933399990
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- T
- safety_code
- 45
- Hazard statements
- H302+H312+H332-H314
- Precautionary statements
- P260-P271-P280
Chemistry & industry
Suppliers22 total
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]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Related reactions
5 records
Compound notes
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