Basic information
- CAS
23258-01-7- Standard SMILES
CCOC(=O)c1ccc(-c2ccc(Br)cc2)nc1C- InChIKey
CWQCMNLDCZKIMV-UHFFFAOYSA-N- Molecular formula
- C15H14BrNO2
- Average molar mass
- 320.18 g/mol
- Monoisotopic mass
- 319.02079
Names & identifiers
- Preferred name
- Ethyl 6-(4-bromophenyl)-2-methylpyridine-3-carboxylate
- IUPAC
- ethyl 6-(4-bromophenyl)-2-methylpyridine-3-carboxylate
- English name
- Ethyl 6-(4-bromophenyl)-2-methylpyridine-3-carboxylate
- Molecular formula
- C15H14BrNO2
- Molecular weight
- 320.18
Names & synonyms
23258-01-7ETHYL 6-(4-BROMOPHENYL)-2-METHYLPYRIDINE-3-CARBOXYLATEDTXSID20693655RefChem:344472DTXCID60644404Ethyl 6-(4-bromophenyl)-2-methylnicotinateMFCD084466143-Pyridinecarboxylicacid, 6-(4-bromophenyl)-2-methyl-, ethyl esterethyl 6-(4-bromophenyl)-2-methyl-pyridine-3-carboxylate3-Pyridinecarboxylic acid, 6-(4-bromophenyl)-2-methyl-, ethyl esterDB-002284
Database identifiers
- CAS
23258-01-7- PubChem CID
- 53375465
- DTXSID
DTXSID20693655- Nikkaji
- J2.130.867F
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- form
- solid
- InChI
- 1S/C15H14BrNO2/c1-3-19-15(18)13-8-9-14(17-10(13)2)11-4-6-12(16)7-5-11/h4-9H,3H2,1-2H3
- InChIKey
- CWQCMNLDCZKIMV-UHFFFAOYSA-N
- SMILES
- CCOC(C(C=CC(C1=CC=C(Br)C=C1)=N2)=C2C)=O
- UNSPSC Code
- 12352101 · 12352101
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H410
- Precautionary statements
- 273 · P273-P305+P351+P338
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 Aquatic · Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2
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
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319-H410
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2
- Precautionary statements
- P273-P305+P351+P338
Chemistry & industry
Suppliers1 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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