Basic information
- CAS
72016-68-3- Standard SMILES
CCOC(=O)Cc1c(C)[nH]c2ccc(Br)cc12- InChIKey
GNAIWTYKMSIQQR-UHFFFAOYSA-N- Molecular formula
- C13H14BrNO2
- Average molar mass
- 296.16 g/mol
- Monoisotopic mass
- 295.02079
Names & identifiers
- Preferred name
- Ethyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetate
- IUPAC
- ethyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetate
- English name
- Ethyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetate
- Molecular formula
- C13H14BrNO2
- Molecular weight
- 296.16
Names & synonyms
Ethyl 2-(5-bromo-2-methyl-1H-indol-3-yl)acetate72016-68-3MFCD082722781H-Indole-3-acetic acid, 5-bromo-2-methyl-, ethyl esterSCHEMBL5190391ETHYL (5-BROMO-2-METHYL-1H-INDOL-3-YL)ACETATEDTXSID40444848GNAIWTYKMSIQQR-UHFFFAOYSA-NAKOS027254902AS-36234SY242309CS-0151608
Show more names
Ethyl2-(5-bromo-2-methyl-1H-indol-3-yl)acetate5-bromo-2-methyl-1H-indole-3-acetic acid ethyl ester
Database identifiers
- CAS
72016-68-3- PubChem CID
- 10780239
- DTXSID
DTXSID40444848
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Melting point
- 96 · 96-98 °C
- Boiling point
- 414.6 · 414.6±40.0 °C(Predicted)
- Density
- 1.454 · 1.454±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 16.31 · 16.31±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H317
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers10 total
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]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
成都金麦瑞生物科技有限公司028-83133020 18280298385 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
嘉兴市德亿化工有限公司86-0573-85866609 18367600069 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海宝艺升生物科技有限公司15221020695 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Related reactions
4 records
Compound notes
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