5,11-Dibromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene [
Basic information
- CAS
23927-40-4- Standard SMILES
Brc1cc2ccc1CCc1ccc(c(Br)c1)CC2- InChIKey
QDMAXRJHDMKTQH-UHFFFAOYSA-N- Molecular formula
- C16H14Br2
- Average molar mass
- 366.09 g/mol
- Monoisotopic mass
- 363.94623
Names & identifiers
- Preferred name
- 5,11-Dibromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene [
- IUPAC
- 5,11-dibromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
- English name
- 4,16-Dibromo[2.2]paracyclophane
- Molecular formula
- C16H14Br2
- Molecular weight
- 366.09
Names & synonyms
23927-40-45,11-Dibromotricyclo(8.2.2.24,7)hexadeca-1(12),4,6,10,13,15-hexaene (5,11-Dibromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene [RefChem:527582811-864-04,16-Dibromo[2.2]paracyclophane96392-77-7(R)-4,12-Dibromo[2.2]paracyclophane4,12-Dibromo[2.2]paracyclophanepseudo-p-Dibromo[2.2]paracyclophaneracemic-4,12-Dibromo[2.2]paracyclophane5,11-Dibromotricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene
Show more names
BRXUHYFFGQYIJL-UHFFFAOYSA-NPseudo-para-4,16-Dibromo[2,2]paracyclophaneTricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene, 5,11-dibromo-5,15-dibromotricyclo[9.3.1.1?,?]hexadeca-1(15),4(16),5,7,11,13-hexaeneracemic-5,11-Dibromotricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaeneDIBROMO-TRICYCLO(8.2.2.2(4,7))HEXADECA-1(13),4(16),5,7(15),10(14),11-HEXAENE4,16-Dibromo[2.2]paracyclophane[5,11-Dibromotricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene
(S)-4,12-Dibromo[2.2]paracyclophaneMFCD001843465,11-dibromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenePseudo-o-DibromoparacyclophaneStereoisomer-4,16-Dibromo[2.2]paracyclophane196316-30-06662-18-6pseudo-p-4,12-Dibromo[2.2]paracyclophane
Database identifiers
- CAS
23927-40-4、6662-18-6、96392-77-7- PubChem CID
- 5200652
- DTXSID
DTXSID60985208- EC Number
- 677-494-5、811-864-0
- Nikkaji
- J2.602.233I、J2.602.234G、J902.935D
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Melting point
- 249 · 249-252°C
- Boiling point
- 417.9 · 417.9±45.0 °C(Predicted)
- Density
- 1.565 · 1.565±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C16H14Br2/c17-15-9-11-1-5-13(15)8-4-12-2-6-14(7-3-11)16(18)10-12/h1-2,5-6,9-10H,3-4,7-8H2
- InChIKey
- QDMAXRJHDMKTQH-UHFFFAOYSA-N
- SMILES
- C12C=CC(=C(Br)C=1)CCC1C=CC(=C(Br)C=1)CC2
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Safety data
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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