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Pyridinium, 1-(2-propen-1-yl)-, bromide (1:1)

HCID 82380
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
10129-44-9
Standard SMILES
C=CC[n+]1ccccc1.[Br-]
InChIKey
KLCKMAMMLDRAQP-UHFFFAOYSA-M
Molecular formula
C8H10N.Br
Average molar mass
200.08 g/mol
Monoisotopic mass
198.99966

Names & identifiers

Preferred name
Pyridinium, 1-(2-propen-1-yl)-, bromide (1:1)
IUPAC
1-prop-2-enylpyridin-1-ium bromide
English name
1-ALLYLPYRIDINIUM BROMIDE
Molecular formula
C8H10N.Br
Molecular weight
200.08

Names & synonyms

10129-44-9N-Allyl pyridinium bromide1-(2-Propenyl)pyridinium bromidePyridinium, 1-(2-propen-1-yl)-, bromide (1:1)Pyridinium, 1-(2-propenyl)-, bromidePyridinium, 1-allyl-, bromideEINECS 233-362-5NSC 11454AI3-16435DTXSID40884447RefChem:177643DTXCID601023887
Show more names
Pyridinium,1-(2-propen-1-yl)-, bromide (1:1)
1-Allylpyridinium bromide1-prop-2-enylpyridin-1-ium;bromideAllylpyridiniumbromidSCHEMBL360656KLCKMAMMLDRAQP-UHFFFAOYSA-MNSC11454NSC-11454AKOS015912467

Database identifiers

CAS
10129-44-9
PubChem CID
82380
DTXSID
DTXSID40884447
EC Number
233-362-5

Properties

Computed structural propertiesFilling in

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
82.6

Physicochemical properties

EPA Substance Registry System
1 · Pyridinium, 1-(2-propenyl)-, bromide (10129-44-9)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard Codes
Xi
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26
WGK Germany
3 · 3
F
10 · 10-21
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.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: Pyridinium, 1-(2-propenyl)-, bromide
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F
10-21
wgk
3
tsca
TSCA listed
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26
Hazard statements
H315-H319-H335
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPyridinium, 1-(2-propen-1-yl)-, bromide (1:1): INACTIVE

Related reactions

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Compound notes

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