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1-Propylpyridinium bromide

HCID 2733701
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Basic information

CAS
873-71-2
Standard SMILES
CCC[n+]1ccccc1.[Br-]
InChIKey
SAORNRFCWXEYSW-UHFFFAOYSA-M
Molecular formula
C8H12BrN
Average molar mass
202.09 g/mol
Monoisotopic mass
201.01531

Names & identifiers

Preferred name
1-Propylpyridinium bromide
IUPAC
1-propylpyridin-1-ium bromide
English name
1-Propylpyridinium bromide
Molecular formula
C8H12BrN
Molecular weight
202.09

Names & synonyms

1-Propylpyridinium bromideRefChem:436488801-386-01-propylpyridin-1-ium bromide873-71-2PROPYLPYRIDINIUM BROMIDE1-propylpyridin-1-ium;bromideMFCD001518431-Propylpyridin-1-iumbromide1-propylpyridin-1-ium,bromideSCHEMBL2566385DTXSID70369979
Show more names
PYRIDINIUM,1-PROPYL-,BROMIDE1-Propylpyridinium bromide,98%1-PROPYLPYRIDINIUM BROMIDE 98%
AKOS015907084DB-050351F243010

Database identifiers

CAS
873-71-2
PubChem CID
2733701
DTXSID
DTXSID70369979
EC Number
801-386-0

Properties

Computed structural properties

Topological polar surface area
3.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
10
Formal charge
0
Complexity
65

Physicochemical properties

Melting point
76 · 76-79 °C(lit.)
Density
1.3964 · 1.3964 (rough estimate)
refractive index
1.576 · 1.5760 (estimate)
storage temp.
Sealed in dry,Room Temperature
CAS DataBase Reference
873 · 873-71-2(CAS DataBase Reference)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Hazard Codes
Xn
Risk Statements
20 · 20/21/22-36/37/38
Safety Statements
26 · 26-36/37
WGK Germany
3 · 3

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 ClassificationNot Classified

Hazard information

Hazard Classes and CategoriesNot Classified

Safety data

wgk
3
risk_code
20/21/22-36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xn
safety_code
26-36/37
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Preparation methods · 1 item

Preparation1-propylpyridinium bromide([C3py]Br) was synthesized via a direct reaction between pyridine and 1-bromopropane in an equal volume of ethyl acetate, followed by stirring in an oil bath at 323.15 K for 72 hours. The resulting mixture was then crystallized from ethyl acetate, filtered, washed, and evaporated to remove volatile solvents, before being dried under vacuum for 24 hours to obtain white crystals. Structural and purity characterizations performed via 1H1H NMR spectroscopy and differential scanning calorimetry (DSC) confirmed a highly pure product (>99%) with a low water content of 869 ppm and a distinct melting point at approximately 70 °C.

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