Basic information
- CAS
97421-12-0- Standard SMILES
CC(C)(C)n1cc([N+](=O)[O-])cn1- InChIKey
FPKZTRHYFSEGRN-UHFFFAOYSA-N- Molecular formula
- C7H11N3O2
- Average molar mass
- 169.18 g/mol
- Monoisotopic mass
- 169.0851266
Names & identifiers
- Preferred name
- 1-(Tert-butyl)-4-nitro-1H-pyrazole
- IUPAC
- 1-tert-butyl-4-nitropyrazole
- English name
- 1-(Tert-butyl)-4-nitro-1H-pyrazole
- Molecular formula
- C7H11N3O2
- Molecular weight
- 169.18
Names & synonyms
1-(Tert-butyl)-4-nitro-1H-pyrazole97421-12-0DTXSID50463282RefChem:227140DTXCID804141011-tert-Butyl-4-nitro-1H-pyrazole1-TERT-BUTYL-4-NITROPYRAZOLEMFCD118457141H-Pyrazole, 1-(1,1-dimethylethyl)-4-nitro-1-(1,1-dimethylethyl)-4-nitro-1H-Pyrazole1-tert-butyl-4-nitro-pyrazoleSCHEMBL1522012
Show more names
1-(tert-Butyl)-4-nitro-1H-pyrazole - [B93944]
1-(tert-butyl)-4-nitropyrazoleFPKZTRHYFSEGRN-UHFFFAOYSA-NSBB088285AKOS016001907BS-24740SY466139DB-363796CS-0207669
Database identifiers
- CAS
97421-12-0- PubChem CID
- 11355708
- DTXSID
DTXSID50463282
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Melting point
- 76 · 76-77 °C
- Boiling point
- 261.9 · 261.9±13.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -2.01 · -2.01±0.10(Predicted)
- form
- crystalline solid
- color
- White to off-white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers21 total
成都市久鼎化学技术有限公司18584079237 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海钰康生物科技有限公司15618758386 15618758386 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
常州捷展化工技术有限公司15861130028 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
长沙博诺新材料科技有限公司18191076804 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
成都效佳科技有限公司15902830537 · [email protected]
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
济南利恒生物科技有限公司0531-18763987518 18763987518 · [email protected]
Related reactions
5 records
Compound notes
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