1-bromo-4-(4-bromophenoxy)benzene

• ChemBase ID: 87351
• Molecular Formular: C12H8Br2O
• Molecular Mass: 327.99932
• Monoisotopic Mass: 325.89418888
• SMILES: O(c1ccc(cc1)Br)c1ccc(cc1)Br
• Canonical SMILES: Brc1ccc(cc1)Oc1ccc(cc1)Br
• InChI: InChI=1S/C12H8Br2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
• InChIKey: YAWIAFUBXXPJMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-4-(4-bromophenoxy)benzene
• IUPAC Traditional name: benzene, 1,1'-oxybis 4-bromo-
• Synonyms: Bis(4-bromophenyl) ether; 1,1'-Oxybis(4-bromobenzene); 4,4'-Dibromodiphenyl ether 99%; 4-Bromophenyl ether; Bis(4-bromophenyl) ether; 4,4′-DiBDE; PBDE 15; 4,4′-Dibromodiphenyl ether solution; BDE No 15 solution; 4,4'-Oxybis(bromobenzene); bis(p-BROMOPHENYL)ETHER; 4-溴苯醚; 4,4-二溴二苯醚; 4,4′-二溴二苯醚 溶液; 双(4-溴苯基)醚

Database IDs

• CAS Number: 2050-47-7
• EC Number: 208-759-1; 218-090-7
• MDL Number: MFCD00000095
• PubChem SID: 24860400; 162074457; 24847323
• PubChem CID: 16305

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.0110383
• LogD (pH = 7.4): 5.0110383
• Log P: 5.0110383
• Molar Refractivity: 67.5444 cm^3
• Polarizability: 26.287916 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Crystalline
• Melting Point: 56-60°C; 61-63 °C(lit.); 61-63°C
• Boiling Point: 338-340 °C(lit.); 338-340°C; 338-340°C
• Flash Point: 10.4 °F; -12 °C

Safety Information

• Storage Warning: Irritant
• RTECS: KN0175000
• European Hazard Symbols: Flammable (F); Nature polluting (N); Harmful (Xn)
• UN Number: 1262
• German water hazard class: 2; 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-38-50/53-65-67
• Safety Statements: 9-16-29-33-60-61-62
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H304-H315-H336-H410
• GHS Precautionary statements: P210-P261-P273-P301 + P310-P331-P501
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• RID/ADR: UN 1262 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 95+%; 99%; 99+%
• Concentration: 50 μg/mL in isooctane
• Grade: analytical standard, for environmental analysis
• Linear Formula: (BrC6H4)2O
• Empirical Formula (Hill Notation): C12H8Br2O

DETAILS

MP Biomedicals - 05207368

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 117277

Packaging
100 g in glass bottle