Basic information
- CAS
86471-14-9- Standard SMILES
CCOC(=O)c1ccc2cc(Br)ccc2c1- InChIKey
FJNDHRWJMFOBCX-UHFFFAOYSA-N- Molecular formula
- C13H11BrO2
- Average molar mass
- 279.13 g/mol
- Monoisotopic mass
- 277.99424169
Names & identifiers
- Preferred name
- Ethyl 6-bromonaphthalene-2-carboxylate
- IUPAC
- ethyl 6-bromonaphthalene-2-carboxylate
- English name
- 2-Naphthalenecarboxylic acid, 6-bromo-, ethyl ester
- Molecular formula
- C13H11BrO2
- Molecular weight
- 279.13
Names & synonyms
ethyl 6-bromo-2-naphthoate86471-14-9ethyl 6-bromonaphthalene-2-carboxylate2-Naphthalenecarboxylic acid, 6-bromo-, ethyl esterMFCD05257070ethyl6-bromo-2-naphthoate6-bromo-naphthalene-2-carboxylic acid ethyl esterSCHEMBL4079402DTXSID40361369FJNDHRWJMFOBCX-UHFFFAOYSA-NALBB-025142SBB072432
Show more names
STK734585AKOS003348439ethyl 6-bromo-2-naphthalinecarboxylateEthyl 6-bromo-2-naphthalenecarboxylateEthyl 6-bromo-2-naphthalene carboxylateethyl 6-bromo-naphthalene-2-carboxylateCS-16292DA-33708
Database identifiers
- CAS
86471-14-9- PubChem CID
- 1249959
- DTXSID
DTXSID40361369- Nikkaji
- J3.753.459E
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Melting point
- 67 · 67-68 °C
- Boiling point
- 369.3 · 369.3±15.0 °C(Predicted)
- Density
- 1.437 · 1.437±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers8 total
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
44 records
Compound notes
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