Basic information
- CAS
82633-69-0- Standard SMILES
Cc1[nH]nc(C(F)(F)C(F)(F)C(F)(F)F)c1[N+](=O)[O-]- InChIKey
UOFISFKBSXJEHZ-UHFFFAOYSA-N- Molecular formula
- C7H4F7N3O2
- Average molar mass
- 295.11 g/mol
- Monoisotopic mass
- 295.01917351
Names & identifiers
- Preferred name
- 3-(Heptafluoropropyl)-5-methyl-4-nitro-1H-pyrazole
- IUPAC
- 3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methyl-4-nitro-1H-pyrazole
- English name
- 3-Heptafluoropropyl-5-methyl-4-nitropyrazole
- Molecular formula
- C7H4F7N3O2
- Molecular weight
- 295.11
Names & synonyms
82633-69-03-(heptafluoropropyl)-5-methyl-4-nitro-1H-pyrazoleDTXSID60379289RefChem:275549DTXCID603303155-Methyl-4-nitro-3-(perfluoropropyl)-1H-pyrazole3-Heptafluoropropyl-5-methyl-4-nitropyrazole3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methyl-4-nitro-1H-pyrazole3(5)-Heptafluoropropyl-5(3)-methyl-4-nitropyrazoleMFCD00155841C7H4F7N3O23-(heptafluoropropyl)-5-methyl-4-nitropyrazole
Show more names
3-(HEPTAFLUORO-N-PROPYL)-5-METHYL-4-NITROPYRAZOLE1H-Pyrazole, 3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methyl-4-nitro-
3-(heptafluoro-1-propyl)-5-methyl-4-(nitro)pyrazoleSCHEMBL2875667AKOS007930571NS001108743-Heptafluoropropyl-5-methyl-4-nitro-1H-pyrazoleF005191
Database identifiers
- CAS
82633-69-0- PubChem CID
- 2774944
- DTXSID
DTXSID60379289
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Melting point
- 97 °C · 97 °C
- Boiling point
- 275.9 · 275.9±40.0 °C(Predicted)
- Density
- 1.662 · 1.662±0.06 g/cm3(Predicted)
- pka
- 6.67 · 6.67±0.50(Predicted)
- CAS DataBase Reference
- 82633 · 82633-69-0(CAS DataBase Reference)
- EPA Substance Registry System
- 3 · 3-(Heptafluoropropyl)-5-methyl-4-nitro-1H-pyrazole (82633-69-0)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HazardClass
- IRRITANT
- HS Code
- 2933199090 · 2933199090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933199090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Suppliers11 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
常州新氟化学有限公司13275212658 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
中科双航化学（大连）有限公司+86-411-66858498 13941194417 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
6 records
Compound notes
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