Basic information
- CAS
93353-66-3- Standard SMILES
COC(=O)c1cccc2cc(Br)ccc12- InChIKey
ZYTSEBOFQXUODK-UHFFFAOYSA-N- Molecular formula
- C12H9BrO2
- Average molar mass
- 265.1 g/mol
- Monoisotopic mass
- 263.97859
Names & identifiers
- Preferred name
- Methyl 6-bromonaphthalene-1-carboxylate
- IUPAC
- methyl 6-bromonaphthalene-1-carboxylate
- English name
- METHYL 6-BROMONAPHTHALENE-1-CARBOXYLATE
- Molecular formula
- C12H9BrO2
- Molecular weight
- 265.1
Names & synonyms
93353-66-3Methyl 6-bromonaphthalene-1-carboxylateMethyl 6-bromo-1-naphthoate1-Naphthalenecarboxylic acid, 6-bromo-, methyl esterMFCD16621701Methyl6-bromo-1-naphthoate6-Bromonaphthalene-1-carboxylic acid methyl esterSCHEMBL819329AKOS027338593AS-30381DB-359322
Database identifiers
- CAS
93353-66-3- PubChem CID
- 22120178
- Nikkaji
- J2.307.288B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Melting point
- 63 · 63-64 °C(Solv: ethanol (64-17-5))
- Boiling point
- 357 · 357.0±15.0 °C(Predicted)
- Density
- 1.492 · 1.492±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
成都信立诺医药科技有限公司+86-0838-2319818 +86-15982001943 · [email protected]
吉林中科研伸科技有限公司043180534350 19917294565 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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