9-bromophenanthrene

• ChemBase ID: 92145
• Molecular Formular: C14H9Br
• Molecular Mass: 257.12526
• Monoisotopic Mass: 255.98876229
• SMILES: Brc1cc2c(c3c1cccc3)cccc2
• Canonical SMILES: Brc1cc2ccccc2c2c1cccc2
• InChI: InChI=1S/C14H9Br/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H
• InChIKey: RSQXKVWKJVUZDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-bromophenanthrene
• IUPAC Traditional name: 9-bromophenanthrene
• Synonyms: 9-BROMOPHENANTHRENE; 9-Bromophenanthrene 98%; 9-Bromophenanthrene; 9-溴菲

Database IDs

• CAS Number: 573-17-1; 1564-64-3
• EC Number: 216-359-3; 209-351-6
• MDL Number: MFCD00001174
• Beilstein Number: 1869927
• PubChem SID: 24892005; 24850655; 162078843
• PubChem CID: 11309

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.720952
• LogD (pH = 7.4): 4.720952
• Log P: 4.720952
• Molar Refractivity: 66.5812 cm^3
• Polarizability: 27.99938 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: chloroform: soluble50 mg/mL, clear
• Melting Point: 60-64 °C(lit.); 60-64°C; 61-65 °C; 62-66°C
• Boiling Point: 180-190 °C/2 mmHg(lit.); 180-190°C/2mm; 190°C/1.2mm
• Flash Point: 113 °C; 113°C; 235.4 °F

Safety Information

• Storage Warning: Irritant
• RTECS: SF7197000
• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥95.0% (HPLC); 96%; 98%
• Grade: purum
• Empirical Formula (Hill Notation): C14H9Br

DETAILS

MP Biomedicals - 05210781

MP Biomedicals Rare Chemical collection

Sigma Aldrich - B75409

Packaging
10, 25, 100 g in glass bottle