Basic information
- CAS
140-72-7- Standard SMILES
CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]- InChIKey
DVBJBNKEBPCGSY-UHFFFAOYSA-M- Molecular formula
- C21H38BrN
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 383.21876
Overview
See also: Cetylpyridinium Bromide (preferred).
Names & identifiers
- Preferred name
- CID 537262
- IUPAC
- 1-hexadecylpyridin-1-ium bromide
- English name
- 1-Hexadecylpyridinium bromide
- Molecular formula
- C21H38BrN
- Molecular weight
- 384.44
Names & synonyms
CETYLPYRIDINIUM BROMIDEHEXADECYLPYRIDINIUM BROMIDEHexadecylpyridinium Bromide Hydratebromocet1-HexadecylpyridiniumCetylpyridine bromidehexadecylpyridine bromideN-HEXADECYLPYRIDINIUM BROMIDEtspbcetasol
Database identifiers
- CAS
140-72-7- PubChem CID
- 537262
Properties
Computed structural properties
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 14
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 63 · 63-69 °C
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- soluble in Chloroform,Methanol,Acetone,Ethanol
- form
- powder to crystal
- color
- White to Almost white
- Water Solubility
- 5 g/L · 5 g/L (20 ºC)
- BRN
- 3778948 · 3778948
- InChI
- InChI=1S/C21H38N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1
- InChIKey
- DVBJBNKEBPCGSY-UHFFFAOYSA-M
- SMILES
- [N+]1(CCCCCCCCCCCCCCCC)C=CC=CC=1.[Br-]
- LogP
- 1.699 · 1.699 (est)
- CAS DataBase Reference
- 140 · 140-72-7(CAS DataBase Reference)
- FDA UNII
- 77 BKZ14DE · O77BKZ14DE
- EPA Substance Registry System
- Cetylpyridinium bromide (140-72-7)
- UNSPSC Code
- 12352005 · 12352005
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
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UU4848000
- ridadr
- 2811
- hs_code
- 29333999
- Toxicity
- mouse,LD50,unreported,126mg/kg (126mg/kg),Pharmazie. Vol. 40, Pg. 273, 1985.
- risk_code
- 22-26-36/37/38-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T+,Xi,Xn
- safety_code
- 26-28-36/37-45-36/37/39-22-36
- hazard_class
- 6.1(b)
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H330-H335-H413
- Hazard Classifications
- Acute Tox. 2 InhalationAcute Tox. 4 OralAquatic Acute 1Eye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P260-P273-P301+P312-P302+P352-P304+P340+P310-P305+P351+P338
- Hazardous Substances Data
- 140-72-7(Hazardous Substances Data)
Chemistry & industry
Applications
Description1-Hexadecylpyridinium bromide is a cationic surfactant capable of bactericidal activity and has been used for ion exchange. As a bactericidal agent, it reduces the surface tension between pathogenic membranes and their environments. This interaction disrupts membrane integrity and osmoregulation, leading to cell lysis. It has also been shown to quickly and efficiently remove metal ions from solutions. The compound removes cations from the solution through a cation/surfactant complex, which precipitates from an aqueous phase into an organic phase and can subsequently be extracted. It is an effective ion exchange agent for extracting DNA and proteins.
UsesHexadecylpyridinium bromide (HDPB) is a biochemical assay reagent.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
兰州大圆新材料科技有限公司13992067598 · [email protected]
上海森灏精细化工有限公司021-66058261,63812598,18301703451 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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