Basic information
- CAS
16732-69-7- Standard SMILES
CCOC(=O)c1cc2cccc(Br)c2[nH]1- InChIKey
FKIRSCKRJJUCNI-UHFFFAOYSA-N- Molecular formula
- C11H10BrNO2
- Average molar mass
- 268.11 g/mol
- Monoisotopic mass
- 266.98949066
Names & identifiers
- Preferred name
- Ethyl 7-bromo-1H-indole-2-carboxylate
- IUPAC
- ethyl 7-bromo-1H-indole-2-carboxylate
- English name
- Ethyl 7-bromo-1H-indole-2-carboxylate
- Molecular formula
- C11H10BrNO2
- Molecular weight
- 268.11
Names & synonyms
Ethyl 7-bromo-1H-indole-2-carboxylate16732-69-7DTXSID30426911RefChem:344628DTXCID60377745Ethyl 7-bromoindole-2-carboxylate1H-Indole-2-carboxylic acid, 7-bromo-, ethyl ester7-Bromo-1H-indole-2-carboxylic acid ethyl esterMFCD049720467-Bromo-1H-indole-2-carboxylicacidethylesterSCHEMBL1301646AKOS005144075
Show more names
N-(2-(diMethylaMino)ethyl)-1-(3-((4-((2-Methyl-1H-indol-5-yl)oxy)pyriMidin-2-yl)aMino)phenyl)MethanesulfonaMide/N-(2-(diMethylaMino)ethyl)-1-(3-((4-((2-Methyl-1H-indol-5-yl)oxy)pyriMidin-2-yl)aMino)phenyl)MethanesulfonaMide
AC-5215PB41177SY040455EN300-718657-Bromoindole-2-carboxylic acid ethyl estersec-butylmethacrylateSCHEMBL31501858MFCD049720
Database identifiers
- CAS
16732-69-7- PubChem CID
- 7017885
- DTXSID
DTXSID30426911
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Melting point
- 85 · 85-86 °C(Solv: ethanol (64-17-5))
- Boiling point
- 394.7 · 394.7±22.0 °C(Predicted)
- Density
- 1.554 · 1.554±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- pka
- 13.35 · 13.35±0.30(Predicted)
- Appearance
- White to light yellow Solid
- InChI
- 1S/C11H10BrNO2/c1-2-15-11(14)9-6-7-4-3-5-8(12)10(7)13-9/h3-6,13H,2H2,1H3
- InChIKey
- FKIRSCKRJJUCNI-UHFFFAOYSA-N
- SMILES
- BrC1=C2NC(C(OCC)=O)=CC2=CC=C1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
Safety & regulation
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses7-Bromo-1H-indole-2-carboxylic acid ethyl ester is an organic intermediate that can be prepared by cyclization of 2-bromophenylhydrazine with ethyl pyruvate.
Upstream & downstream products
Upstream raw materials
Suppliers97 total
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]
上海策嵘生物科技有限公司[email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
Related reactions
3 records
Compound notes
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