Basic information
- CAS
21987-29-1- Standard SMILES
FC1(F)CCNCC1- InChIKey
MJOUJKDTBGXKIU-UHFFFAOYSA-N- Molecular formula
- C5H9F2N
- Average molar mass
- 121.13 g/mol
- Monoisotopic mass
- 121.07030573
Names & identifiers
- Preferred name
- 4,4-Difluoropiperidine
- IUPAC
- 4,4-difluoropiperidine
- English name
- 4,4-Difluoropiperidine
- Molecular formula
- C5H9F2N
- Molecular weight
- 121.13
Names & synonyms
4,4-difluoropiperidine21987-29-1DTXSID80374291RefChem:507334DTXCID60325322808-638-94-difluoropiperidineMFCD030942814,4-difluoro-PiperidinePiperidine, 4,4-difluoro-difluoropiperidine4,4-difluoropiperidin
Show more names
4,4-Dihaloperidine
4,4-difluro-piperidine4,4-Difluoro-piperidiniumSCHEMBL13457CHEMBL1162292NRQUV44-DifluoropiperidineSCHEMBL193805SCHEMBL14880087
Database identifiers
- CAS
21987-29-1- PubChem CID
- 2758352
- DTXSID
DTXSID80374291- ChEMBL
CHEMBL1162292- EC Number
- 808-638-9
- Nikkaji
- J2.738.686E
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74.5
Experimental & physicochemical properties
SpringerMaterials PropertiesMolecular structure
Dissociation Constants8.5
Physicochemical properties
- Boiling point
- 34 °C · 34°C 12mm
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- pka
- 8.2 · 8.20±0.10(Predicted)
- form
- Oil
- color
- Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 271 · P271-P260-P280
- Risk Statements
Safety & regulation
GHS classification
GHS Classification
Warning
H302+H312+H332 (95.1%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
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)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety data
- hs_code
- 2933399990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 16-26-36/37/39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P271-P260-P280
Chemistry & industry
Suppliers96 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
上海恩氟佳科技有限公司15800445152 · [email protected]
泰州葛林美克医药科技有限公司15366892466
天津瑞德法莫科技有限公司13821803402 · [email protected]
杭州鼎燕化工有限公司13588754826 13588754826 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
骓慕化学（天津）有限公司13116033143 17602663561 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
Related reactions
125 records
Compound notes
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