1-Bromonaphthalene

• CAS: 90-11-9
• Catalog Number: ACM90119
• Category: Aryl
• Molecular Weight: 207.07
• Molecular Formula: C10H7Br
• IUPAC Name: 1-bromonaphthalene
• Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2Br
• InChI: InChI=1S/C10H7Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
• InChI Key: DLKQHBOKULLWDQ-UHFFFAOYSA-N
• Boiling Point: 282 °C
• Melting Point: -2 °C
• Appearance: Colorless to Light orange to Yellow clear liquid
• Application: 1-Bromonaphthalene is a versatile chemical compound primarily used in organic synthesis and refractometry. It plays a crucial role in the preparation of N-aryl imidazoles, diaryl ethers, and compounds exhibiting glutathione peroxidase-like antioxidant activity, such as diaryl diselenides. This colorless to yellow-brown liquid seamlessly integrates with alcohol, ether, benzene, and chloroform, although it remains insoluble in water. Additionally, 1-bromonaphthalene serves as an essential medium for determining crystal refractive indices and the water content in alcohols. Its solvent properties facilitate the exfoliation and dispersion of hexabenzocoronene and its utility as a refrigerant. Moreover, in chemical synthesis, it supports palladium-catalyzed Suzuki-Miyaura coupling reactions, both with potassium aryltrifluoroborates and aryl boronic acids, to produce arylnaphthalenes without the need for phase-transfer catalysts or phosphine ligands. It also participates in nickel-catalyzed Kumada-Tamao-Corriu cross-coupling reactions and aids in forming indeno annelated polycyclic aromatic hydrocarbons.
• Storage: Keep in dark place. Sealed in dry. Room temperature.
• Complexity: 133
• Covalently-Bonded Unit Count: 1
• EC Number: 201-965-2
• Exact Mass: 205.97311g/mol
• Formal Charge: 0
• Hazard Statements: H302 : Harmful if swallowed.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 11
• MDL Number: MFCD00003868
• Monoisotopic Mass: 205.97311g/mol
• NSC Number: 6551
• Precautionary Statements: P501 : Dispose of contents/ container to an approved waste disposal plant.P270 : Do not eat, drink or smoke when using this product.P264 : Wash skin thoroughly after handling.P280 : Wear eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.
• Refractive Index: 1.66
• RIDADR: UN 3082 9 / PGIII
• Rotatable Bond Count: 0
• Signal Word: Warning
• Solubility In Water: Slightly soluble
• Symbol: GHS07
• UNII: 976Y53P08P
• XLogP3: 4.3

Custom Q&A

What is the molecular formula of 1-Bromonaphthalene?

The molecular formula of 1-Bromonaphthalene is C10H7Br.

What is the molecular weight of 1-Bromonaphthalene?

The molecular weight of 1-Bromonaphthalene is 207.07 g/mol.

What is the IUPAC name of 1-Bromonaphthalene?

The IUPAC name of 1-Bromonaphthalene is 1-bromonaphthalene.

What is the InChI of 1-Bromonaphthalene?

The InChI of 1-Bromonaphthalene is InChI=1S/C10H7Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H.

What is the InChIKey of 1-Bromonaphthalene?

The InChIKey of 1-Bromonaphthalene is DLKQHBOKULLWDQ-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Bromonaphthalene?

The canonical SMILES of 1-Bromonaphthalene is C1=CC=C2C(=C1)C=CC=C2Br.

What is the CAS number of 1-Bromonaphthalene?

The CAS number of 1-Bromonaphthalene is 90-11-9.

What is the European Community (EC) Number of 1-Bromonaphthalene?

The European Community (EC) Number of 1-Bromonaphthalene is 201-965-2.

What is the UNII of 1-Bromonaphthalene?

The UNII of 1-Bromonaphthalene is 976Y53P08P.

Is 1-Bromonaphthalene a canonicalized compound?

Yes, 1-Bromonaphthalene is a canonicalized compound.