Basic information
- Standard SMILES
Brc1ccc(-c2ccc(Br)cc2)cc1- InChIKey
HQJQYILBCQPYBI-UHFFFAOYSA-N- Molecular formula
- C12H8Br2
- Average molar mass
- 312 g/mol
- Monoisotopic mass
- 309.89928
Names & identifiers
- Preferred name
- 4,4'-Dibromobiphenyl
- IUPAC
- 1-bromo-4-(4-bromophenyl)benzene
- English name
- 4,4'-Dibromobiphenyl
- Molecular formula
- C12H8Br2
- Molecular weight
- 312
Names & synonyms
4,4'-DIBROMOBIPHENYL92-86-41,1'-Biphenyl, 4,4'-dibromo-1-bromo-4-(4-bromophenyl)benzenep,p'-Dibromobiphenyl4,4'-DibromodiphenylPBB 15Biphenyl, 4,4'-dibromo-NSC-2098POU26V2XT2RefChem:96236202-198-6
Show more names
PPDBrHFNG4,4’PBB NO 15-Bis(4”cis-(±PBB-No. 15 10Mtrans-(±
4,4-Dibromobiphenyl4,4'-Dibromo-1,1'-biphenyl4',4-dibromobiphenylMFCD00000101CHEMBL8166PBB No. 154,4'-Dibromobiphenyl (PBB 15)4,4 inverted exclamation mark -Dibromobiphenyl
Database identifiers
- CAS
92-86-4- PubChem CID
- 7110
- DTXSID
DTXSID1059072- ChEMBL
CHEMBL8166- UNII
- POU26V2XT2
- EC Number
- 202-198-6
- Nikkaji
- J79.439B
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Melting point
- 163 · 163-165 °C(lit.)
- Boiling point
- 355 · 355-360 °C(lit.)
- Density
- 1.7243 · 1.7243 (estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- Flash point
- 355 · 355-360°C
- storage temp.
- Sealed in dry,Room Temperature
- form
- Liquid
- color
- White to light yellow-beige
- Water Solubility
- INSOLUBLE
- BRN
- 2044701 · 2044701
- InChI
- InChI=1S/C12H8Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
- InChIKey
- HQJQYILBCQPYBI-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=C(Br)C=C2)=CC=C(Br)C=C1
- CAS DataBase Reference
- 92 · 92-86-4(CAS DataBase Reference)
- REACH Annex XVII Substances List
- 4 · 4,4'-dibromobiphenyl (92-86-4)
- FDA UNII
- 26 V2XT2 · POU26V2XT2
- NIST Chemistry Reference
- 1 · 1,1'-Biphenyl, 4,4'-dibromo-(92-86-4)
- EPA Substance Registry System
- 1 · 1,1'-Biphenyl, 4,4'-dibromo- (92-86-4)
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335-H351-H410
- Precautionary statements
- 201 · P201-P273-P280-P301+P312+P330-P305+P351+P338+P310-P308+P313
- Hazard Codes
- Xi,Xn,N
- Risk Statements
- 36 · 36/37/38-37/38-36-40-50/53-41-22-67-52/53
- Safety Statements
- 37 · 37/39-26-37-36/37-61-60-39-36/37/39
- RIDADR
- 3152 · 3152
- WGK Germany
- 1 · 1
- TSCA
- TSCA listed
- HazardClass
- 9 · 9
- PackingGroup
- II
- HS Code
- 29036990 · 29036990
- Limited Quantities
- 1 L · 1.0 L (0.3 gallon) (liquid) or 1.0 kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
Safety data
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- 3152
- hs_code
- 29036990
- risk_code
- 36/37/38-37/38-36-40-50/53-41-22-67-52/53
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS08,GHS09
- hazard_code
- Xi,Xn,N
- safety_code
- 37/39-26-37-36/37-61-60-39-36/37/39
- hazard_class
- 9
- packing_group
- II
- Hazard statements
- H302-H315-H318-H335-H351-H410
- Limited Quantities
- 1.0 L (0.3 gallon) (liquid) or 1.0 kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Precautionary statements
- P201-P273-P280-P301+P312+P330-P305+P351+P338+P310-P308+P313
Chemistry & industry
Applications
Uses4,4'-Dibromobiphenyl is commonly used as fire retardants and plasticizers. It is also have application in gas chromatography and liquid chromatography analysis.
Upstream & downstream products
Upstream raw materials
Downstream products
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