Basic information
- CAS
3446-72-8- Standard SMILES
CCOC(=O)Cc1c(C)[nH]c2ccc(Cl)cc12- InChIKey
BEIZRBAYMLMWPP-UHFFFAOYSA-N- Molecular formula
- C13H14ClNO2
- Average molar mass
- 251.71 g/mol
- Monoisotopic mass
- 251.0713064
Names & identifiers
- Preferred name
- Ethyl 2-(5-chloro-2-methyl-1H-indol-3-yl)acetate
- IUPAC
- ethyl 2-(5-chloro-2-methyl-1H-indol-3-yl)acetate
- English name
- ETHYL 2-(5-CHLORO-2-METHYL-1H-INDOL-3-YL)ACETATE
- Molecular formula
- C13H14ClNO2
- Molecular weight
- 251.71
Names & synonyms
3446-72-8Ethyl 2-(5-chloro-2-methyl-1H-indol-3-yl)acetate(5-Chloro-2-methyl-1H-indol-3-yl)-acetic acid ethyl esterMFCD08272276SCHEMBL8296306DTXSID20469276SB36733BS-49980DB-069016CS-0197168E78338Ethyl (5-chloro-2-methyl-1H-indol-3-yl)acetate
Show more names
5-chloro-2-methyl-1H-indole-3-acetic acid ethyl ester1H-Indole-3-acetic acid, 5-chloro-2-methyl-, ethyl ester
F633770Ethyl2-(5-chloro-2-methyl-1H-indol-3-yl)acetate
Database identifiers
- CAS
3446-72-8- PubChem CID
- 11601269
- DTXSID
DTXSID20469276
Properties
Computed structural properties
- XLogP
- 3.2
- 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
- 85 °C · 85 °C
- Boiling point
- 396.6 · 396.6±37.0 °C(Predicted)
- Density
- 1.262 · 1.262±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 16.36 · 16.36±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
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-P305+P351+P338-P332+P313-P337+P313-P362
Chemistry & industry
Suppliers11 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
上海旺珐化工科技有限公司（安徽珐诺伊医药科技有限公司）13918479294 · [email protected]
山东天之和医药有限公司18954152635 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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