Basic information
- CAS
25109-28-8- Standard SMILES
Brc1ccc(C2CCCCC2)cc1- InChIKey
LVIJLEREXMVRAN-UHFFFAOYSA-N- Molecular formula
- C12H15Br
- Average molar mass
- 239.15 g/mol
- Monoisotopic mass
- 238.03571258
Names & identifiers
- Preferred name
- 1-Bromo-4-cyclohexylbenzene
- IUPAC
- 1-bromo-4-cyclohexylbenzene
- English name
- 1-Bromo-4-cyclohexylbenzene
- Molecular formula
- C12H15Br
- Molecular weight
- 239.15
Names & synonyms
1-Bromo-4-cyclohexylbenzene25109-28-8Benzene, 1-bromo-4-cyclohexyl-LVIJLEREXMVRAN-UHFFFAOYSA-EINECS 246-623-3AI3-11173DTXSID90179794NSC 67355RefChem:75125DTXCID50102285246-623-3InChI=1/C12H15Br/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2
Show more names
4-Cyclohexylbromobenzenep-bromophenylcyclohexane4-Bromo-1-cyclohexylbenzene1-Bromo-4-cyclohexylbenzene >
P-BROMOCYCLOHEXYLBENZENEMFCD000193391-bromo-4-cyclohexyl-benzene4-Bromophenylcyclohexane(1R,3R)-3-(4-Bromophenyl)cyclohexaneSCHEMBL126116NSC-67355CS-W014661
Database identifiers
- CAS
25109-28-8- PubChem CID
- 90718
- DTXSID
DTXSID90179794- UNII
- R66NHB86A6
- EC Number
- 246-623-3
- Nikkaji
- J236.054C
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 141
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 90 · 90-94°C 0,01mm
- Density
- 1 · 1,287 g/cm3
- refractive index
- 1.5595 · 1.5595
- Flash point
- 90 · 90-94°C/0.01mm
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- color
- Colorless to Almost colorless
- Water Solubility
- Not miscible or difficult to mix with water.
- BRN
- 2209869 · 2209869
- InChI
- InChI=1S/C12H15Br/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2
- InChIKey
- LVIJLEREXMVRAN-UHFFFAOYSA-N
- SMILES
- C1(Br)=CC=C(C2CCCCC2)C=C1
- CAS DataBase Reference
- 25109 · 25109-28-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H413
- Precautionary statements
- 261 · P261-P273-P305+P351+P338
- Safety Statements
- 24 · 24/25
- HS Code
- 29039990 · 29039990
Safety & regulation
GHS classification
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- hs_code
- 29039990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H315-H319-H335-H413
- Precautionary statements
- P261-P273-P305+P351+P338
Chemistry & industry
Applications
Uses1-Bromo-4-cyclohexylbenzene is used as a organic light-emitting diode and as a pharmaceutical intermediate.
Upstream & downstream products
Downstream products
Suppliers100 total
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
10 records
Compound notes
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