Basic information
- CAS
400877-58-9- Standard SMILES
CCn1cc(Br)c(C(=O)OC)n1- InChIKey
CTILOLAZJZKWKA-UHFFFAOYSA-N- Molecular formula
- C7H9BrN2O2
- Average molar mass
- 233.06 g/mol
- Monoisotopic mass
- 231.98474
Names & identifiers
- Preferred name
- methyl 4-bromo-1-ethyl-1H-pyrazole-3-carboxylate
- IUPAC
- methyl 4-bromo-1-ethylpyrazole-3-carboxylate
- English name
- METHYL 4-BROMO-1-ETHYL-1H-PYRAZOLE-3-CARBOXYLATE
- Molecular formula
- C7H9BrN2O2
- Molecular weight
- 233.06
Names & synonyms
methyl 4-bromo-1-ethyl-1H-pyrazole-3-carboxylate400877-58-9methyl 4-bromo-1-ethylpyrazole-3-carboxylateMFCD049698424-Bromo-1-ethyl-1H-pyrazole-3-carboxylic acid methyl estermethyl4-bromo-1-ethyl-1H-pyrazole-3-carboxylateSCHEMBL858867CTILOLAZJZKWKA-UHFFFAOYSA-NDTXSID601239939ARA87758SBB022084STK315911
Show more names
methyl 4-bromo-1-ethylpyrazole-3-carboxylate - [AC78410]1H-Pyrazole-3-carboxylic acid, 4-bromo-1-ethyl-, methyl ester
AKOS000310324SY075491DB-138336CS-0215243ST45161811EN300-229568F30591methyl 4-bromo-1-ethyl-pyrazole-3-carboxylate
Database identifiers
- CAS
400877-58-9- PubChem CID
- 7017643
- DTXSID
DTXSID601239939
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Boiling point
- 288.9 · 288.9±20.0 °C(Predicted)
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- -2.2 · -2.20±0.10(Predicted)
- Appearance
- Colorless to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H227
- Precautionary statements
- 501 · P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235
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
- H315-H319-H227
- Precautionary statements
- P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235
Chemistry & industry
Suppliers8 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海广洋嘉莉生物科技有限公司13127532723 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
2 records
Compound notes
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