Basic information
- CAS
102391-98-0- Standard SMILES
O=C(c1ccc(F)cc1)N1CCNCC1- InChIKey
OITKVXMAEXNRRK-UHFFFAOYSA-N- Molecular formula
- C11H13FN2O
- Average molar mass
- 208.23 g/mol
- Monoisotopic mass
- 208.10119126
Names & identifiers
- Preferred name
- (4-Fluorophenyl)(piperazin-1-yl)methanone
- IUPAC
- (4-fluorophenyl)-piperazin-1-ylmethanone
- English name
- (4-Fluoro-phenyl)-piperazin-1-yl-methanone
- Molecular formula
- C11H13FN2O
- Molecular weight
- 208.23
Names & synonyms
(4-fluorophenyl)(piperazin-1-yl)methanoneRefChem:402855827-758-2102391-98-01-(4-fluorobenzoyl)piperazineMethanone, (4-fluorophenyl)-1-piperazinyl-(4-fluorophenyl)-piperazin-1-ylmethanoneMFCD01829194(4-Fluorophenyl)(1-piperazinyl)methanone(4-fluorophenyl)-piperazin-1-yl-methanone4-fluorophenyl piperazinyl ketone(4-Fluoro-phenyl)-piperazin-1-yl-methanone
Show more names
1-(4-FLUOROBENZOYL) PIPERAZINE
Oprea1_252004Oprea1_607041SCHEMBL2095786SCHEMBL23368591-(4-fluorobenzoyl)-piperazine4-(4-fluorobenzoyl)-piperazineDTXSID60354399OITKVXMAEXNRRK-UHFFFAOYSA-N
Database identifiers
- CAS
102391-98-0- PubChem CID
- 771862
- DTXSID
DTXSID60354399- EC Number
- 827-758-2
- Nikkaji
- J2.881.680D
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Boiling point
- 353.8 · 353.8±37.0 °C(Predicted)
- Density
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- pka
- 8.35 · 8.35±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
- HazardClass
- IRRITANT
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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 30 reports by companies from 3 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers15 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [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]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
北京百灵威科技有限公司
Related reactions
5 records
Compound notes
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