Basic information
- CAS
84547-93-3- Standard SMILES
O=C(O)c1n[nH]c([N+](=O)[O-])c1Br- InChIKey
AYVPVIOGABUWIE-UHFFFAOYSA-N- Molecular formula
- C4H2BrN3O4
- Average molar mass
- 235.98 g/mol
- Monoisotopic mass
- 234.92287
Names & identifiers
- Preferred name
- 4-bromo-5-nitro-1H-pyrazole-3-carboxylic acid
- IUPAC
- 4-bromo-5-nitro-1H-pyrazole-3-carboxylic acid
- English name
- 4-BROMO-5-NITRO-1H-PYRAZOLE-3-CARBOXYLIC ACID
- Molecular formula
- C4H2BrN3O4
- Molecular weight
- 235.98
Names & synonyms
4-bromo-5-nitro-1H-pyrazole-3-carboxylic acid84547-93-3DTXSID90346949RefChem:290958DTXCID002980214-Bromo-3-nitro-1H-pyrazole-5-carboxylic acidMFCD004642564-Bromo-5-nitro-2H-pyrazole-3-carboxylic acid4-bromo-3-nitropyrazole-5-carboxylic acid1H-pyrazole-5-carboxylic acid, 4-bromo-3-nitro-C4H2BrN3O4SCHEMBL2760506
Show more names
4-Bromo-5-nitropyrazole-3-carboxylic acid1H-Pyrazole-3-carboxylic acid, 4-bromo-5-nitro-
SCHEMBL3027429AKOS B000143AYVPVIOGABUWIE-UHFFFAOYSA-NART-CHEM-BB B000143ALBB-009742SALOR-INT L119555-1EAMFCD00195041SBB000743
Database identifiers
- CAS
84547-93-3- PubChem CID
- 135411996
- DTXSID
DTXSID90346949
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Melting point
- 201 · 201-202 °C(Solv: water (7732-18-5))
- Boiling point
- 452.3 · 452.3±45.0 °C(Predicted)
- Density
- 2.324 · 2.324±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 1.69 · 1.69±0.29(Predicted)
- Appearance
- White to off-white Solid
- Hazard Codes
- Xi
- 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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers23 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
南京多隆生物科技有限公司18905173768 · [email protected]
苏州新凯生物医药技术有限公司0512-67213637 13952409868 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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