Basic information
- CAS
26033-25-0- Standard SMILES
O=Cc1cn[nH]c1-c1cccc([N+](=O)[O-])c1- InChIKey
DNSRMBHWRSZMRZ-UHFFFAOYSA-N- Molecular formula
- C10H7N3O3
- Average molar mass
- 217.18 g/mol
- Monoisotopic mass
- 217.04874109
Names & identifiers
- Preferred name
- 3-(3-nitrophenyl)-1H-pyrazole-4-carbaldehyde
- IUPAC
- 5-(3-nitrophenyl)-1H-pyrazole-4-carbaldehyde
- English name
- 3-(3-Nitrophenyl)-1H-pyrazole-4-carbaldehyde
- Molecular formula
- C10H7N3O3
- Molecular weight
- 217.18
Names & synonyms
3-(3-nitrophenyl)-1H-pyrazole-4-carbaldehyde26033-25-0DTXSID80354573RefChem:274243DTXCID503056335-(3-nitrophenyl)-1H-pyrazole-4-carbaldehydeMFCD056645771H-Pyrazole-4-carboxaldehyde, 3-(3-nitrophenyl)-3-(3-nitrophenyl)pyrazole-4-carbaldehyde3-(3-nitrophenyl)-1H-Pyrazole-4-carboxaldehydeMLS000682811CHEMBL1323530
Show more names
3-(3-nitrophenyl)-2H-pyrazole-4-carbaldehyde3-(3-nitrophenyl)-2H-pyrazole-4-carboxaldehyde
HMS2602B21ALBB-006696SBB013227STK260085AKOS000112380AS-67782SMR000312168SY086104
Database identifiers
- CAS
26033-25-0- PubChem CID
- 776512
- DTXSID
DTXSID80354573- ChEMBL
CHEMBL1323530
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Melting point
- 156 · 156-158 °C(Solv: water (7732-18-5))
- Boiling point
- 506.2 · 506.2±45.0 °C(Predicted)
- Density
- 1.45 · 1.450±0.06 g/cm3(Predicted)
- pka
- 9.97 · 9.97±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers17 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海西浦化工有限公司+86 (21) 6715-7650 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
上海偕腾生物科技有限公司+86-021-58975553 · [email protected]
武汉凯美克化学科技有限公司027-87342388 18086026008 · [email protected]
越林试剂021-62960152 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
无锡凯德瑞医药科技有限公司19906241957 · [email protected]
Zjartspharm Co., Ltd15068876005 · [email protected]
诺圣华控股集团有限公司+86-023-62871537 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海源香科生物科技有限公司13248186658 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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