1-Hexadecylpyridinium bromide

Basic Information

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CAS Number

140-72-7

Molecular Formula

C21H38BrN

Molecular Weight

384.4 g/mol

EINECS

205-428-3

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

63-69 ºC

Boiling Point

°Cat760mmHg

Water Solubility

5 g/L (20 ºC)

SMILES

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CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Br-]

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

LogP

log Kow= 1.83

Complexity

208

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1(b) Class 6.1(b)

Storage Conditions

Inert atmosphere,Room Temperature

Toxicity

mouse,LD50,unreported,126mg/kg (126mg/kg),Pharmazie. Vol. 40, Pg. 273, 1985.

RTECS

UU4848000

Synonyms & References

English

NCGC00259098-01
Hexadecyl pyridinium bromide
NCGC00257401-01
CETYLPYRIDINIUM BROMIDE [HSDB]
FT-0623576
AMY17951
CAS-140-72-7
(1-Hexadecyl)pyridinium bromide monohydrate
Fixanol C
NSC8495
Caswell No. 166
NS00079614
1-hexadecylpyridin-1-ium;bromide
CIA86992
Acetoquat CPB
H0162
NSC 8495
EPA Pesticide Chemical Code 069118
CETYLPYRIDINIUM BROMIDE [WHO-DD]
Q27146586
Sterogenal
Pyridinium, 1-hexadecyl-, bromide (1:1)
MFCD00011988
SCHEMBL151799
NCGC00091023-06
CHEBI:77052
HSDB 6859
SMR001398783
Tox21_201549
Bromocet
EINECS 205-428-3

MDL Number

MFCD00150003

EC Number

205-428-3

Customs Code

29333999

FAQ

What is 1-Hexadecylpyridinium bromide (CAS: 140-72-7)?

1-Hexadecylpyridinium bromide (CAS: 140-72-7) is a quaternary ammonium compound with the chemical formula C21H43BrN. It is a yellowish solid that is soluble in water and organic solvents. This compound is known for its surfactant properties and is commonly used in various applications due to its cationic nature and ability to interact with biological membranes.

What are the main uses of 1-Hexadecylpyridinium bromide (CAS: 140-72-7)?

1-Hexadecylpyridinium bromide (CAS: 140-72-7) is primarily used as a surfactant in pharmaceuticals, cosmetics, and industrial settings. It serves as an antiseptic and disinfectant in medical applications, aids in the formulation of topical medications, and is also used in research for studying surface-active agents and their interactions with cells and tissues.

Is 1-Hexadecylpyridinium bromide (CAS: 140-72-7) safe?

1-Hexadecylpyridinium bromide (CAS: 140-72-7) is generally considered safe when used according to guidelines, but it may cause skin irritation or allergic reactions in some individuals. Proper handling, including the use of gloves and protective eyewear, is recommended. Safety standards for its use are typically based on its application in medical and industrial contexts.

How should 1-Hexadecylpyridinium bromide (CAS: 140-72-7) be stored?

1-Hexadecylpyridinium bromide (CAS: 140-72-7) should be stored in a cool, dry, and dark place, away from moisture and light. It is best kept in a sealed, airtight container to maintain its stability and prevent degradation. Avoid exposure to high temperatures and ensure proper ventilation during storage.