Basic information
- CAS
4549-32-0- Standard SMILES
BrCCCCCCCCBr- InChIKey
DKEGCUDAFWNSSO-UHFFFAOYSA-N- Molecular formula
- C8H16Br2
- Average molar mass
- 272.02 g/mol
- Monoisotopic mass
- 269.96187471
Names & identifiers
- Preferred name
- 1,8-Dibromooctane
- IUPAC
- 1,8-dibromooctane
- English name
- 1,8-Dibromooctane
- Molecular formula
- C8H16Br2
- Molecular weight
- 272.02
Names & synonyms
1,8-Dibromooctane4549-32-0Octamethylene dibromideOctane, 1,8-dibromo-ES9U6BR88XDTXSID5063520NSC-9820RefChem:73737DTXCID0040418224-912-5Octamethylene Bromide1,8-dibromo-octane
Show more names
8-Dibromooctane1,8-DIBROMOOCANE1?-DIBROMOOCTANE1,8-DibroMooCLane1,8-dibromo-octanDibromo-1,8 octane1,8-OCTANE DIBROMIDEKeratin 7,13,17 &
MFCD000002771,8-dibromoctanealpha,omega-DibromooctaneUNII-ES9U6BR88XSCHEMBL98832SY013819LABOTEST-BB LTBB002638NSC 9820; Octamethylene Dibromide; alpha,?-Dibromooctane
Database identifiers
- CAS
4549-32-0- PubChem CID
- 78310
- DTXSID
DTXSID5063520- UNII
- ES9U6BR88X
- EC Number
- 224-912-5
- Nikkaji
- J29.162E
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 7
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 47.2
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesDiamagnetic susceptibility
Physical DescriptionClear light yellow liquid; mp = 12-16 deg C; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 12 · 12-16 °C (lit.)
- Boiling point
- 270 · 270-272 °C (lit.)
- Density
- 1.477 g/mL · 1.477 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.498(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Sparingly), Hexanes (Slightly)
- form
- Liquid
- Specific Gravity
- 1.465 · 1.465
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 (97.6%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Octane, 1,8-dibromo-
Octane, 1,8-dibromo-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29033990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctane, 1,8-dibromo-: ACTIVE
Applications
Uses1,8-Dibromooctane is used as an additive in the preparation poly[[4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl][3-fluoro-2-[(2-ethylhexyl)carbonyl]thieno[3,4-b]thiophenediyl]]:[6,6]-phenylC71-butyric acid methyl ester, which finds application in the fabrication of organic photovoltaics (OPVs). Further, it is used in the preparation of (1,4-bis-(8-bromooctyloxy)-benzene).
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Related reactions
59 records
Compound notes
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