Diethyl 7-bromoquinoline-2,3-dicarboxylate
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Basic information
- CAS
892874-41-8- Standard SMILES
CCOC(=O)c1cc2ccc(Br)cc2nc1C(=O)OCC- InChIKey
TWIQBJPCMUMTST-UHFFFAOYSA-N- Molecular formula
- C15H14BrNO4
- Average molar mass
- 352.184 g/mol
- Monoisotopic mass
- 351.01062003
Names & identifiers
- Preferred name
- Diethyl 7-bromoquinoline-2,3-dicarboxylate
- IUPAC
- Diethyl 7-bromoquinoline-2,3-dicarboxylate
- English name
- 7-Bromoquinoline-2,3-dicarboxylic acid diethyl ester
- Molecular formula
- C15H14BrNO4
- Molecular weight
- 352.18
Names & synonyms
Diethyl 7-broMoquinoline-2,3-dicarboxylate7-Bromoquinoline-2,3-dicarboxylic acid diethyl ester2,3-Quinolinedicarboxylic acid, 7-bromo-, 2,3-diethyl ester
Database identifiers
- CAS
892874-41-8- PubChem CID
- 17039596
- DTXSID
DTXSID20588870- EC Number
- 804-460-0
Properties
Physicochemical properties
- Boiling point
- 415.7 · 415.7±40.0 °C(Predicted)
- Density
- 1.456 · 1.456±0.06 g/cm3(Predicted)
- pka
- -1.38 · -1.38±0.50(Predicted)
- form
- solid
- InChI
- 1S/C15H14BrNO4/c1-3-20-14(18)11-7-9-5-6-10(16)8-12(9)17-13(11)15(19)21-4-2/h5-8H,3-4H2,1-2H3
- InChIKey
- TWIQBJPCMUMTST-UHFFFAOYSA-N
- SMILES
- CCOC(=O)c1cc2ccc(Br)cc2nc1C(=O)OCC
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 41 · 41
- Safety Statements
- 26 · 26-39
- WGK Germany
- 3 · 3
- HS Code
- 2933499090 · 2933499090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 · Eye Dam. 1
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
- wgk
- 3
- hs_code
- 2933499090
- risk_code
- 41
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 26-39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H318
- Hazard Classifications
- Eye Dam. 1
- Precautionary statements
- P280-P305+P351+P338
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Compound notes
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