Basic information
- CAS
96761-85-2- Standard SMILES
Brc1cccc(-c2cc(-c3cccc(Br)c3)cc(-c3cccc(Br)c3)c2)c1- InChIKey
JKCQADHKVQXKFF-UHFFFAOYSA-N- Molecular formula
- C24H15Br3
- Average molar mass
- 543.1 g/mol
- Monoisotopic mass
- 539.87239
Names & identifiers
- Preferred name
- 1,3,5-Tris(3-bromophenyl)benzene
- IUPAC
- 1,3,5-tris(3-bromophenyl)benzene
- English name
- 1,3,5-Tris(3-bromophenyl)benzene
- Molecular formula
- C24H15Br3
- Molecular weight
- 543.09
Names & synonyms
1,3,5-Tris(3-bromophenyl)benzene96761-85-2DTXSID10404439RefChem:1052601DTXCID903552933,3''-Dibromo-5'-(3-bromophenyl)-1,1':3',1''-terphenylMFCD02323390SCHEMBL1345303SCHEMBL29696912AKOS005146176AC-7651DS-17420
Show more names
cas 96761-85-296761-85-2 cascas no 96761-85-25-Tris(3-bromophenyl)benzene1,3,5-tri-(3-bromophenyl)benzene1,1':3',1''-Terphenyl, 3,3''-dibromo-5'-(3-bromophenyl)-
SY055288CS-0110814AC-776/15493005F6066333',3'',3'''-tribromo-1,1':3,1'':5,1'''-quaterphenyl1,3,5-TRIS(3-BROMOPHENYL)BENZENE;1,3,5-tri-(3-bromophenyl)benzene1~3~,3~3~-Dibromo-2~5~-(3-bromophenyl)-1~1~,2~1~:2~3~,3~1~-terphenyl3,3 inverted exclamation mark inverted exclamation mark -Dibromo-5 inverted exclamation mark -(3-bromophenyl)-1,1 inverted exclamation mark :3 inverted exclamation mark ,1 inverted exclamation mark inverted exclamation mark -terphenyl
Database identifiers
- CAS
96761-85-2- PubChem CID
- 4576280
- DTXSID
DTXSID10404439- Nikkaji
- J3.071.976J
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- Melting point
- 170 to · 170.0 to 174.0 °C
- Boiling point
- 553.9 · 553.9±45.0 °C(Predicted)
- Density
- 1.626 · 1.626±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Toluene
- form
- powder to crystal
- color
- White to Almost white
- InChI
- InChI=1S/C24H15Br3/c25-22-7-1-4-16(13-22)19-10-20(17-5-2-8-23(26)14-17)12-21(11-19)18-6-3-9-24(27)15-18/h1-15H
- InChIKey
- JKCQADHKVQXKFF-UHFFFAOYSA-N
- SMILES
- C1(C2=CC(C3=CC=CC(Br)=C3)=CC(C3=CC=CC(Br)=C3)=C2)=CC=CC(Br)=C1
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H312-H314-H332
- Precautionary statements
- 260 · P260-P261-P264-P270-P271-P280-P301+P312-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P312-P321-P322-P330-P363-P405-P501
- HS Code
- 2903.99 · 2903.99.8001
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
- hs_code
- 2903.99.8001
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302-H312-H314-H332
- Precautionary statements
- P260-P261-P264-P270-P271-P280-P301+P312-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P312-P321-P322-P330-P363-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers99 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Related reactions
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Compound notes
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