1-bromonaphthalene

• ChemBase ID: 77406
• Molecular Formular: C10H7Br
• Molecular Mass: 207.06658
• Monoisotopic Mass: 205.97311222
• SMILES: Brc1cccc2ccccc12
• Canonical SMILES: Brc1cccc2c1cccc2
• InChI: InChI=1S/C10H7Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
• InChIKey: DLKQHBOKULLWDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromonaphthalene
• IUPAC Traditional name: 1-bromonaphthalene
• Synonyms: 1-Bromonaphthalene; 1-Bromonaphthalene; α-BROMONAPHTHALENE; 1-Bromonaphthalene solution; 1-溴萘; 1-溴萘 溶液

Database IDs

• CAS Number: 90-11-9; 33186
• EC Number: 201-965-2
• MDL Number: MFCD00003868
• Beilstein Number: 1906414
• Merck Index: 141425
• PubChem SID: 24850582; 24850575; 162042279; 24891985
• PubChem CID: 7001

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.731475
• LogD (pH = 7.4): 3.731475
• Log P: 3.731475
• Molar Refractivity: 50.131 cm^3
• Polarizability: 20.478687 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: slightly yellow to deep brownish-yellow
• Melting Point: -2 - -1°C; -2 to 0°C; -2 to 0°C; -2--1 °C(lit.)
• Boiling Point: 133-134 °C/10 mmHg(lit.); 133-134°C/10 mmHg; 279-281°C; 279-281°C
• Flash Point: >110°C(230°F); 110 °C; 110°C; 230 °F
• Density: 0.981 g/mL at 20 °C; 1.48; 1.48 g/mL at 20 °C(lit.); 1.48 g/mL at 20°C; 1.485
• Refractive Index: 1.657; 1.6570; n20/D 1.510; n20/D 1.6570(lit.)

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive
• RTECS: QJ1545000
• European Hazard Symbols: X; Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36; R:36/37/38
• Safety Statements: 26-36; S:20-25-26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H319
• GHS Precautionary statements: P280F-P305+P351+P338; P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%; 98%
• Concentration: ~20% in paraffin
• Grade: purum
• Empirical Formula (Hill Notation): C10H7Br

DETAILS

Sigma Aldrich - B73104

Packaging
5, 100, 500 g in glass bottle

Sigma Aldrich - 17640

Packaging
100, 500 mL in glass bottle