6-bromonaphthalen-2-ol

• ChemBase ID: 69825
• Molecular Formular: C10H7BrO
• Molecular Mass: 223.06598
• Monoisotopic Mass: 221.96802684
• SMILES: c1c(ccc2cc(ccc12)Br)O
• Canonical SMILES: Oc1ccc2c(c1)ccc(c2)Br
• InChI: InChI=1S/C10H7BrO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1-6,12H
• InChIKey: YLDFTMJPQJXGSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromonaphthalen-2-ol
• IUPAC Traditional name: 6-bromo-2-naphthol
• Synonyms: 6-Bromo-2-naphthol; 6-Bromo-2-naphthol; 6-溴-2-萘酚

Database IDs

• CAS Number: 15231-91-1
• EC Number: 239-279-0
• MDL Number: MFCD00004081
• Beilstein Number: 1100270
• PubChem SID: 24891987; 162035550
• PubChem CID: 27144

CALCULATED PROPERTIES

• Acid pKa: 9.781428
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.4278872
• LogD (pH = 7.4): 3.42612
• Log P: 3.4279099
• Molar Refractivity: 52.1119 cm^3
• Polarizability: 21.104137 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 122-124 °C(lit.); 126-129°C; 127-130°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• RTECS: QL3365000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; R:36/37/38
• Safety Statements: 26-36; 26-37-60; S:20-25-26-37/39
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95+%; 97%; 98%
• Linear Formula: BrC10H6OH

DETAILS

MP Biomedicals - 05203754

MP Biomedicals Rare Chemical collection

Sigma Aldrich - B73406

Packaging
25, 100 g in glass bottle