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| CAS No.: | 542-92-7 |
|---|---|
| Name: | 1,3-Cyclopentadiene |
| Article Data: | 461 |
| Molecular Structure: | |
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|
|
| Formula: | C5H6 |
| Molecular Weight: | 66.1026 |
| Synonyms: | Cyclopentadiene;Pentole;Pyropentylene;R-Pentine; |
| EINECS: | 208-835-4 |
| Density: | 0.878 g/cm3 |
| Melting Point: | - 97.2 C |
| Boiling Point: | 41.499 °C at 760 mmHg |
| Solubility: | 10.3 mM at 25 °C (shake flask-UV spectrophotometry, Streitwieser and Nebenzahl, 1976) |
| Appearance: | colourless liquid |
| PSA: | 0.00000 |
| LogP: | 1.50250 |
- 81281-59-67-Benzylideneaminotheophylline
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- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 548773-13-32-amino-4,6-dimethylpyrimidine-5-carboxylic acid
| Conditions | Yield |
|---|---|
| With n-butyllithium; potassium 2-methylbutan-2-olate In hexane 1) r.t., 14 h, 2) reflux, 5 h; | 100% |
| at 850℃; Erhitzen unter vermindertem Druck; | |
| With chromium (III)-oxide-aluminium oxide contacts at 450 - 500℃; | |
| With palladium at 180 - 200℃; |
| Conditions | Yield |
|---|---|
| With trifluoroacetic acid at 60℃; for 3h; Heating; | 100% |
| With potassium tert-butylate In N,N,N,N,N,N-hexamethylphosphoric triamide at 60℃; for 3h; | 100% |
| Conditions | Yield |
|---|---|
| In toluene under N2 or Ar;suspn. of Mn(cp)2 in toluene treated with stoicheiometric amt. of amine, clear soln, addn. of CO2, after 2 h no gas was uptaken; evapn.,; | A 99% B n/a |
- 16326-97-9, 16326-98-0, 59719-74-3
1,3-dihydroxycyclopentane
- 542-92-7
cyclopenta-1,3-diene
| Conditions | Yield |
|---|---|
| With Nafion In water at 140℃; Temperature; Solvent; Reagent/catalyst; | 99% |
| With H-USY zeolite In tetrahydrofuran at 249.84℃; Inert atmosphere; | 93.8% |
- 84651-76-3
(η-cyclopentadienyl)(η-cyclopentadiene)nickel tetrafluoroborate
- 603-36-1
triphenylantimony
A
- 85836-36-8
[Ni(C5H5)(Sb(C6H5)3)2](1+)*BF4(1-)=[Ni(C5H5)(Sb(C6H5)3)2]BF4
B
- 542-92-7
cyclopenta-1,3-diene
| Conditions | Yield |
|---|---|
| In diethyl ether under Ar, Ni complex in ether mixed with stibane ligand (molar ratio 1:2), stirred for 5 h at room temp.; filtered, washed with ether, dried in vac., elem. anal.; | A 98% B n/a |
| Conditions | Yield |
|---|---|
| In toluene molar ratio Cp2V/Pb-compound 1/1, sealed ampoule, 20°C, 48 h; | A 97% B n/a C 36.6% |
- 542-92-7
cyclopenta-1,3-diene
| Conditions | Yield |
|---|---|
| Heating; | 96% |
| at 180℃; | |
| In decalin at 180℃; Diels-Alder Cycloaddition; Inert atmosphere; |
- 77-73-6, 933-60-8, 1755-01-7
bi(cyclopentadiene)
- 542-92-7
cyclopenta-1,3-diene
| Conditions | Yield |
|---|---|
| at 160℃; | 95% |
| at 350 - 400℃; | 91% |
| at 210℃; | 84.5% |
- 79756-02-8, 79813-47-1
endo-4a-acetyl-2,3-dichloro-4a,5,8,8a-tetrahydro-5,8-methano-1,4-naphthoquinone
A
- 542-92-7
cyclopenta-1,3-diene
- 79756-04-0
4-acetyl-6,7,7',8'-tetrachloro-3'aR*,9'bR*-dihydro-5,6',9'-trihydroxy-spiro<3H-benzofuran-2S*,5'(1'H)-cyclopenta<2>benzopyran>
| Conditions | Yield |
|---|---|
| In benzene-d6 at 80℃; for 6h; sealed n.m.r. sample tube; | A n/a B 95% |
| Conditions | Yield |
|---|---|
| With tert-butylhydroquinone In diphenylether at 215℃; for 2.58333h; Product distribution / selectivity; | 94.19% |
- 34452-51-2Potassium thioglycolate
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- 6640-22-82-Naphthalenecarboxylicacid, 4,4'-methylenebis[3-hydroxy-, sodium salt (1:2)
- 9037-24-5Amberlyst 15
- 69102-90-51,3-Butadiene,homopolymer, hydroxy-terminated
- 8015-86-9Carnauba wax
- 26896-20-8Neodecanoic acid
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- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
- Total:23 Page 1 of 1 1
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Consensus Reports
Reported in EPA TSCA Inventory.
Standards and Recommendations
OSHA PEL: TWA 75 ppm
ACGIH TLV: TWA 75 ppm
DFG MAK: 75 ppm (210 mg/m3)
Analytical Methods
For occupational chemical analysis use NIOSH: 1,3-Cyclopentadiene, 2523.
Specification
The Cyclopentadiene, with the CAS registry number 542-92-7,is also known as 1,3-Cyclopentadiene. It belongs to the product categories of Organic matters. This chemical's molecular formula is C5H6 and molecular weight is 66.10.Its EINECS number is 542-92-7. What's more,Its systematic name is Cyclopentadiene.It is a colourless liquid which is stable at room temperature and incompatible with oxidizing agents, acids and a wide variety of other compounds.It may form peroxides in storage.And it may undergo spontaneous polymerisation. It Decomposes on heating,mixtures with air are explosive.It is used for organic synthetic intermediates, and manufacturing pesticides.In addition, it is mainly used for resin industry, synthetic rubber, etc.
Physical properties about Cyclopentadiene are:
(1)ACD/LogP: 2.087; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.09; (4)ACD/LogD (pH 7.4): 2.09; (5)ACD/BCF (pH 5.5): 22.72; (6)ACD/BCF (pH 7.4): 22.72; (7)ACD/KOC (pH 5.5): 325.50; (8)ACD/KOC (pH 7.4): 325.50; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.503; (13)Molar Refractivity: 22.266 cm3; (14)Molar Volume: 75.303 cm3; (15)Surface Tension: 34.859001159668 dyne/cm; (16)Density: 0.878 g/cm3; (17)Flash Point: -32.166 °C; (18)Enthalpy of Vaporization: 27.4 kJ/mol; (19)Boiling Point: 41.499 °C at 760 mmHg; (20)Vapour Pressure: 418.459991455078 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:C1C=CC=C1;
(2)Std. InChI:InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2 ;
(3)Std. InChIKey:ZSWFCLXCOIISFI-UHFFFAOYSA-N.
The toxicity data of Cyclopentadiene as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LC50 | inhalation | 14gm/m3 (14000mg/m3) | BEHAVIORAL: EXCITEMENT BEHAVIORAL: AGGRESSION BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 9(12), Pg. 13, 1965. |
| mouse | LD50 | oral | 800mg/kg (800mg/kg) | Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 9, Pg. 27, 1967. | |
| rabbit | LD50 | skin | 430mg/kg (430mg/kg) | National Technical Information Service. Vol. OTS0535718, | |
| rat | LC50 | inhalation | 39gm/m3 (39000mg/m3) | BEHAVIORAL: AGGRESSION BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) BEHAVIORAL: EXCITEMENT | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 9(12), Pg. 13, 1965. |
| rat | LD50 | oral | 113mg/kg (113mg/kg) | National Technical Information Service. Vol. OTS0535718, |