ethyl 5-chloro-3-formyl-1H-indole-2-carboxylate
Basic information
- CAS
43142-76-3- Standard SMILES
CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C=O- InChIKey
JSJQTSYYPLBOFH-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO3
- Average molar mass
- 251.66 g/mol
- Monoisotopic mass
- 251.0349209
Names & identifiers
- Preferred name
- ethyl 5-chloro-3-formyl-1H-indole-2-carboxylate
- IUPAC
- ethyl 5-chloro-3-formyl-1H-indole-2-carboxylate
- English name
- 5-Chloro-3-formyl-1H-indole-2-carboxylic acid ethyl ester
- Molecular formula
- C12H10ClNO3
- Molecular weight
- 251.67
Names & synonyms
ethyl 5-chloro-3-formyl-1H-indole-2-carboxylate43142-76-35-Chloro-3-formyl-1H-indole-2-carboxylic acid ethyl esterMFCD02257705SCHEMBL1503856SCHEMBL29954955DTXSID90402973JSJQTSYYPLBOFH-UHFFFAOYSA-NIFLAB-BB F2113-0049AKOS001476247AB11648SY304764
Show more names
1H-Indole-2-carboxylic acid, 5-chloro-3-formyl-, ethyl ester
VS-07148DB-070407Ethyl 5-chloro-3-formylindole-2-carboxylateE76329EN300-240228ethyl5-chloro-3-formyl-1H-indole-2-carboxylateF4568005-chloro-3-formylindole-2-carboxylic acid ethyl ester
Database identifiers
- CAS
43142-76-3- PubChem CID
- 4410568
- DTXSID
DTXSID90402973- Nikkaji
- J902.015B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 59.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Boiling point
- 458 · 458.0±45.0 °C(Predicted)
- Density
- 1.399 · 1.399±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 12.6 · 12.60±0.30(Predicted)
- Appearance
- Off-white to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
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-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
5 records
Compound notes
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