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Pyrrole 98%

CAT: 0286-P31870-03Size: 500 gDry Ice: NoHazardous: Yes
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CAT#:0286-P31870-03Size:500 g
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CAS Number
109-97-7
Synonyms
Azole; Divinyleneimine; Imidole
UN Code
UN1992
Pictogram
02 - Flammable; 05 - Corrosive; 06 - Acute Toxicity
UDF Signal Word
Danger
MDL Number
MFCD00005216
Hazard Statement
H226 Flammable liquid and vapor; H301 Toxic if swallowed; H312 Harmful in contact with skin; H314 Causes severe skin burns and eye damage; H318 Causes serious eye damage; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Flammable Liquids, Toxic, N.O.S.
DOT Classification
Class 3, 6.1
Packaging Group
PGIII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P260 Do not breathe dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P302+P352 IF ON SKIN: wash with plenty of soap and water; P303+P361+P353 IF ON SKIN (or hair) : Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower; 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; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P403+P235 Store in a well-ventilated place. Keep cool.

Chemical Information

Pyrrole

1H-pyrrole is a tautomer of pyrrole that has the double bonds at positions 2 and 4. It is a secondary amine and a pyrrole. It is a tautomer of a 3H-pyrrole and a 2H-pyrrole.

CAS Number109-97-7
PubChem CID8027
IUPAC Name1H-pyrrole
Molecular FormulaC4H5N
Molecular Weight67.09
XLogP0.7
Topological Polar Surface Area15.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count5
Formal Charge0
Complexity22
SMILES
C1=CNC=C1
InChI
InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H
InChIKey
KAESVJOAVNADME-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyrrole
CAS: 109-97-7
CID: 8027
Formula: C4H5N
MW: 67.09
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight67.09
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass67.042199164
Monoisotopic Mass67.042199164
Topological Polar Surface Area15.8 Ų
Heavy Atom Count5
Formal Charge0
Complexity22.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes