Basic information
- CAS
5932-34-3- Standard SMILES
CCOC(=O)c1[nH]ncc1Br- InChIKey
YTIXVTQCUMGIBZ-UHFFFAOYSA-N- Molecular formula
- C6H7BrN2O2
- Average molar mass
- 219.04 g/mol
- Monoisotopic mass
- 217.96908956
Names & identifiers
- Preferred name
- ethyl 4-bromo-1H-pyrazole-3-carboxylate
- IUPAC
- ethyl 4-bromo-1H-pyrazole-5-carboxylate
- English name
- ethyl 4-bromo-1H-pyrazole-5-carboxylate(SALTDATA: FREE)
- Molecular formula
- C6H7BrN2O2
- Molecular weight
- 219.04
Names & synonyms
ethyl 4-bromo-1H-pyrazole-3-carboxylate1H-pyrazole-3-carboxylic acid, 4-bromo-, ethyl esterDTXSID30348720RefChem:343856DTXCID20299792InChI=1/C6H7BrN2O2/c1-2-11-6(10)5-4(7)3-8-9-5/h3H,2H2,1H3,(H,8,95932-34-3ethyl 4-bromo-1H-pyrazole-5-carboxylateMFCD10697501Ethyl 4-Bromopyrazole-3-carboxylateSCHEMBL15509199SCHEMBL16235771
Show more names
Ethyl 4-bromo-1H-pyrazole-3-carboxylatethyl 4-bromo-2H-pyrazole-3-carboxylateethyl 4-bromo-1H-pyrazole-5-carboxylate 95%4-bromo-2H-pyrazole-3-carboxylic acid ethyl esterethyl 4-bromo-1H-pyrazole-5-carboxylate(SALTDATA: FREE)
CS-B1046AKOS005174636PB14823A869221InChI=1/C6H7BrN2O2/cYTIXVTQCUMGIBZ-UHFFFAOYSA-NALBB-014848AKOS025312354
Database identifiers
- CAS
5932-34-3- PubChem CID
- 640321
- DTXSID
DTXSID30348720- Nikkaji
- J1.053.676F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Melting point
- 185 · 185-187 °C
- Boiling point
- 325.3 · 325.3±22.0 °C(Predicted)
- Density
- 1.664 · 1.664±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 9.75 · 9.75±0.50(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers50 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
西安华瑞致远生物科技有限公司18112972000 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [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]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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