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Basic information
- CAS
67733-52-2- Standard SMILES
Brc1cc(Br)c(-c2cc(Br)c(Br)c(Br)c2Br)cc1Br- InChIKey
RPGHQOFAFNAVNA-UHFFFAOYSA-N- Molecular formula
- C12H3Br7
- Average molar mass
- 706.5 g/mol
- Monoisotopic mass
- 699.45184
Names & identifiers
- Preferred name
- 2,2',3,4,4',5,5'-Heptabromobiphenyl
- IUPAC
- 1,2,3,4-tetrabromo-5-(2,4,5-tribromophenyl)benzene
- English name
- 2,2',3,4,4',5,5'-Heptabromobiphenyl
- Molecular formula
- C12H3Br7
- Molecular weight
- 706.48
Names & synonyms
2,2',3,4,4',5,5'-HEPTABROMOBIPHENYLPBB 1802,2',3,4,4',5,5'-Heptabromo-1,1'-biphenyl1,2,3,4-tetrabromo-5-(2,4,5-tribromophenyl)benzeneUNII-U8YQ2A981KU8YQ2A981K1,1'-Biphenyl, 2,2',3,4,4',5,5'-heptabromo-DTXSID70218014RefChem:80582DTXCID9014050567733-52-22,2',3,4,4',5,5'-Heptabromobiphenyl (PBB 180)
Show more names
PBB 180, >PBB 180, >80%PBB 180, >80% (DISCONTINUED)2,2’,3,4,4’,5,5’-HeptabromobiphenylPBB 180 DISCONTINUED Please see P2151902,2',3,4,4',5,5'-Heptabromobiphenyl in Iso-octane2,2 ', 3,4,4', 5,5 '- Heptabromobiphenyl (BB-180)
SCHEMBL30208225MSK0008862,2',3.4,4'.5,5'-HeptabromobiphenylNS00125082Q27290918
Database identifiers
- CAS
67733-52-2- PubChem CID
- 49972
- DTXSID
DTXSID70218014- UNII
- U8YQ2A981K
- Nikkaji
- J1.623.760D
Properties
Computed structural propertiesFilling in
- XLogP
- 8.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Melting point
- 166 °C · 166 °C
- Boiling point
- 504.4 · 504.4±45.0 °C(Predicted)
- Density
- 2.636 · 2.636±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), Hexanes (Slightly)
- form
- Solid
- color
- White to Off-White
- InChI
- InChI=1S/C12H3Br7/c13-6-3-8(15)7(14)1-4(6)5-2-9(16)11(18)12(19)10(5)17/h1-3H
- InChIKey
- RPGHQOFAFNAVNA-UHFFFAOYSA-N
- SMILES
- C1(C2=CC(Br)=C(Br)C=C2Br)=CC(Br)=C(Br)C(Br)=C1Br
- FDA UNII
- 8 YQ2A981K · U8YQ2A981K
Chemistry & industry
Applications
UsesPBB 180 is a brominated biphenyls that can be used as a flame retardant and often incorporated into consumer products including appliances, electronics and plastics.
Suppliers8 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
江苏智芯廷科技有限公司18221391031 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
四川普西奥标物科技有限公司13540909846 13882008651 · [email protected]
常州阿桑奇科技有限公司18961267976 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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