Basic information
- CAS
992-04-1- Standard SMILES
c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1- InChIKey
QBHWPVJPWQGYDS-UHFFFAOYSA-N- Molecular formula
- C42H30
- Average molar mass
- 534.7 g/mol
- Monoisotopic mass
- 534.23475096
Names & identifiers
- Preferred name
- Hexaphenylbenzene
- IUPAC
- 1,2,3,4,5,6-hexakis-phenylbenzene
- English name
- Hexaphenylbenzene
- Molecular formula
- C42H30
- Molecular weight
- 534.69
Names & synonyms
HexaphenylbenzeneBenzene, hexaphenyl-3',4',5',6'-Tetraphenyl-o-terphenyl1,2,3,4,5,6-Hexaphenylbenzene35L5JAJ94NEINECS 213-591-7NSC 220313NSC-2203131,1':2',1''-Terphenyl, 3',4',5',6'-tetraphenyl-m-Terphenyl, 2',4',5',6'-tetraphenyl-DTXSID30243983RefChem:146265
Show more names
Six phenyl benzeneHexaphenylbenzene 98%Hexaphenylbenzene, 98+%
DTXCID60166474QBHWPVJPWQGYDS-UHFFFAOYSA-N992-04-11,2,3,4,5,6-hexakis-phenylbenzeneMFCD00003057ghl.PD_Mitscher_leg0.8903',4',5',6'-tetraphenyl-1,1':2',1''-terphenylm-Terphenyl,4',5',6'-tetraphenyl-
Database identifiers
- CAS
992-04-1- PubChem CID
- 70432
- DTXSID
DTXSID30243983- UNII
- 35L5JAJ94N
- EC Number
- 213-591-7
- Nikkaji
- J125.072H
Properties
Computed structural properties
- XLogP
- 11.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 6
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 579
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 300 °C · >300 °C (lit.)
- Boiling point
- 547.47 °C · 547.47°C (rough estimate)
- Density
- 0.853 · 0.8530 (rough estimate)
- refractive index
- 1.469 · 1.4690 (estimate)
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- powder to crystal
- color
- White to Light yellow
- Water Solubility
- Insoluble in water.
- BRN
- 1895903 · 1895903
- InChI
- 1S/C42H30/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42(36-29-17-6-18-30-36)41(35-27-15-5-16-28-35)39(37)33-23-11-3-12-24-33/h1-30H
- InChIKey
- QBHWPVJPWQGYDS-UHFFFAOYSA-N
- SMILES
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29029090
- safety_code
- 24/25-25-24
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesHexaphenylbenzene was used to prepare the fluorescent nanorods used for the detection of trinitrotoulene (TNT).
Suppliers69 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海道鞅科技有限公司QQ:3150471267 13381681725 · [email protected]
南京哈柏医药科技有限公司13376080562 13376090521 · [email protected]
Related reactions
3 records
Compound notes
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