Basic information
- CAS
2534-66-9- Standard SMILES
CCCCCCCC[n+]1ccccc1.[Br-]- InChIKey
LNKPCMOUFKLBCM-UHFFFAOYSA-M- Molecular formula
- C13H22BrN
- Average molar mass
- 272.22 g/mol
- Monoisotopic mass
- 271.0935618
Names & identifiers
- Preferred name
- Pyridinium, 1-octyl-, bromide (1:1)
- IUPAC
- 1-octylpyridin-1-ium bromide
- English name
- N-octylpyridinium bromide
- Molecular formula
- C13H22BrN
- Molecular weight
- 272.22448
Names & synonyms
2534-66-9Octylpyridinium bromideEINECS 219-797-3Pyridinium, 1-octyl-, bromidePyridinium, 1-octyl-, bromide (1:1)DTXSID10883861RefChem:177661DTXCID301023345n-octylpyridinium bromide1-Octylpyridinium bromide1-octylpyridinium bromid1-octylpyridin-1-ium bromide
Show more names
SKL1327[C8Py]Br1-octylpyridin-1-ium,bromidePyridinium, 1-octyl-,bromide (1:1)Octylpyridinium bromide in methanol
1-octylpyridin-1-ium;bromideMFCD20134161n-octylpyridiniumbromideSCHEMBL637000CAA53466AKOS032945815AS-58125SY316316
Database identifiers
- CAS
2534-66-9- PubChem CID
- 75674
- DTXSID
DTXSID10883861- EC Number
- 219-797-3
Properties
Computed structural properties
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Melting point
- 28 · 28-30 °C(Solv: ethyl ether (60-29-7))
- storage temp.
- Inert atmosphere,Room Temperature
- Appearance
- 30 °C · Light yellow to brown 30°C Liquid
- InChI
- InChI=1S/C13H22N.BrH/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;/h7,9-10,12-13H,2-6,8,11H2,1H3;1H/q+1;/p-1
- InChIKey
- LNKPCMOUFKLBCM-UHFFFAOYSA-M
- SMILES
- C1=[N+](CCCCCCCC)C=CC=C1.[Br-]
- EPA Substance Registry System
- Octylpyridinium bromide (2534-66-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPyridinium, 1-octyl-, bromide (1:1): INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers48 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
henan kanbei chemical co.,ltd+undefined-86-1523780-4566 +86-15237804566 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
Related reactions
1 records
Compound notes
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