Basic information
- CAS
91844-20-1- Standard SMILES
CCOC(=O)c1cc2cc(Br)ccc2n1C- InChIKey
RLEUBLNVHZTFOH-UHFFFAOYSA-N- Molecular formula
- C12H12BrNO2
- Average molar mass
- 282.13 g/mol
- Monoisotopic mass
- 281.00514
Names & identifiers
- Preferred name
- Ethyl 5-bromo-1-methyl-1H-indole-2-carboxylate
- IUPAC
- ethyl 5-bromo-1-methylindole-2-carboxylate
- English name
- 5-bromo-1-methyl-1H-indole-2-carboxylic acid
- Molecular formula
- C12H12BrNO2
- Molecular weight
- 282.13
Names & synonyms
Ethyl 5-bromo-1-methyl-1H-indole-2-carboxylate91844-20-1DTXSID30469848RefChem:344285DTXCID80420666ethyl 5-bromo-1-methylindole-2-carboxylateMFCD09027165Ethyl 5-bromo-1-methyl-indole-2-carboxylateSCHEMBL1096993SCHEMBL31435629RLEUBLNVHZTFOH-UHFFFAOYSA-NRDA84420
Show more names
5-bromo-1-methyl-1H-indole-2-carboxylic acid5-Bromo-2-(ethoxycarbonyl)-1-methyl-1H-indole1H-Indole-2-carboxylic acid, 5-bromo-1-methyl-, ethyl ester
AKOS005073149AT32176KA-0922DA-337845-bromo-1-methyl-1H-indole-2-carboxylic acid ethyl ester
Database identifiers
- CAS
91844-20-1- PubChem CID
- 11637730
- DTXSID
DTXSID30469848- Nikkaji
- J2.770.402F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Melting point
- 83 · 83~85℃
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesEthyl 5-Bromo-1-methyl-1H-indole-2-carboxylate is a useful reactant for copper-catalyzed cross-coupling of indoles with H-phosphinate.
Suppliers14 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海彰锐化工科技有限公司021-54880687
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海欣联生物医药科技有限公司19821636928 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
苏州美诺医药科技有限公司0512-69561983 13914027025 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
Related reactions
4 records
Compound notes
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