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1-Ethylpyridinium bromide

CAT: 0286-E14590Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-E14590Size:25 g
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CAS Number
1906-79-2
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00041999
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P321 Specific treatment (see … on this label) ; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P405 Store locked up.

Chemical Information

Ethylpyridinium bromide
CAS Number1906-79-2
PubChem CID15927
IUPAC Name1-ethylpyridin-1-ium bromide
Molecular FormulaC7H10BrN
Molecular Weight188.06
Topological Polar Surface Area3.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity55
SMILES
CC[N+]1=CC=CC=C1.[Br-]
InChI
InChI=1S/C7H10N.BrH/c1-2-8-6-4-3-5-7-8;/h3-7H,2H2,1H3;1H/q+1;/p-1
InChIKey
ABFDKXBSQCTIKH-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Ethylpyridinium bromide
CAS: 1906-79-2
CID: 15927
Formula: C7H10BrN
MW: 188.06
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight188.06
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass186.99966
Monoisotopic Mass186.99966
Topological Polar Surface Area3.9 Ų
Heavy Atom Count9
Formal Charge0
Complexity55.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes