1,3-Cyclopentadiene | CAS No. 542-92-7

Basic Information

CAS Number

542-92-7

Molecular Formula

C5H6

Molecular Weight

66.10 g/mol

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Basic Physical Properties

Melting Point

-85°; mp 32.5°

Boiling Point

bp760 41.5-42.0°

Refractive Index

nD16 1.44632

SMILES

C1C=CC=C1

InChI

InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2

InChIKey

ZSWFCLXCOIISFI-UHFFFAOYSA-N

LogP

1.5025

pKa

16(at 25℃)

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

58.1

Classification & Uses

Chemical Classification

Pharmaceutical Products APIs & Intermediates Intermediates

Safety Information

Hazard Class

3.2

Stability

Stable at room temperature. Incompatible with oxidizing agents, acids and a wide variety of other compounds. May form peroxides in storage. May undergo spontaneous polymerisation. Decomposes on heating. Highly flammable. Mixtures with air are explosive.

Toxicity

LD50 of dimer orally in rats: 0.82 g/kg (Smyth)

Synonyms & References

English

cyclo pentadiene
CYCLOPENTADIENE [MI]
Q424390
cyclopenta-1,3-diene
A818675
1,3-CYCLOPENTADIENE [HSDB]
InChI=1/C5H6/c1-2-4-5-3-1/h1-4H,5H
Q2209035
HSDB 2514
Tox21_302134
EC 208-835-4
FT-0656719
NS00006170
CAS-542-92-7
NCGC00255341-01
542-92-7
UNII-5DFH9434HF
EINECS 208-835-4
CHEMBL3188826
26912-33-4
CHEBI:30664
cyclo-pentadiene
FT-0659414
R-Pentine
1,3-CYCLOPENTADIENE
1.3-cyclopentadiene pound Dimer form pound(c)
AKOS025295445
DTXCID007191
Pyropentylene
AT31522
Cyclopentadiene
cyclopentadien
DTXSID0027191
ghl.PD_Mitscher_leg0.1205
Pentole
5DFH9434HF
cyclopentadiene
1,3-Cyclopentadiene
1,3-Cyclopentadiene,potassium complex
cyclopentadienalpotassium
cyclopentadienyl
Cyclopentadienylpotassium
cyclopentanediene
cyclopentdiene
POTASSIUM CYCLOPENTADIENIDE
Potassium,2,4-cyclopentadien-1-yl

CAS Number

542-92-7

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