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Cas Database |
| Name |
1,2,3,4,5-Pentamethylcyclopentadiene |
EINECS | 223-743-4 |
| CAS No. | 4045-44-7 | Density | 0.814 g/cm3 |
| PSA | 0.00000 | LogP | 3.30890 |
| Solubility | Miscible with methanol. dichloromethane and ethyl acetate. Slightly miscible with water. | Melting Point |
236oC |
| Formula | C10H16 | Boiling Point | 170.2 °C at 760 mmHg |
| Molecular Weight | 136.237 | Flash Point | 44.4 °C |
| Transport Information | UN 3295 3/PG 3 | Appearance | clear colorless to yellowish liquid |
| Safety | 16 | Risk Codes | 10 |
| Molecular Structure |
|
Hazard Symbols | R10:; |
| Synonyms |
Cyclopentadiene,1,2,3,4,5-pentamethyl- (6CI,7CI);1,2,3,4,5-Pentamethyl-1,3-cyclopentadiene;1,2,3,4,5-Pentamethylcyclopentadiene;NSC 222823; |
Article Data | 48 |
1,2,3,4,5-Pentamethylcyclopentadiene Synthetic route
- 64417-15-8
3,4,5-trimethyl-2,5-heptadien-4-ol
- 4045-44-7
1,2,3,4,5-pentamethylcyclopentadiene
| Conditions | Yield |
|---|---|
| With C24H14Ga4N2O6(12-)*12K(1+) In water at 50℃; for 12h; pH=11; Nazarov cyclization; | 100% |
| With toluene-4-sulfonic acid In diethyl ether for 1h; Inert atmosphere; Reflux; | 75% |
| With toluene-4-sulfonic acid In diethyl ether | |
| With K12Ga4[N,N'-bis(2,3-dihydroxybenzoyl)-1,5-diaminonapthalene]6 In dimethylsulfoxide-d6; water-d2 at 45℃; pH=8; Nazarov cyclization; |
- 874964-07-5
7-(1,2,3,4,5-pentamethyl-2,4-cyclopentadienyl)-7-tridecanol
A
- 462-18-0
tridecan-7-one
B
- 4045-44-7
1,2,3,4,5-pentamethylcyclopentadiene
| Conditions | Yield |
|---|---|
| In toluene for 30h; Heating; | A 98% B 100% |
- 862387-21-1
(4-buthoxyphenyl)(1,2,3,4,5-pentamethyl-2,4-cyclopentadienyl)methanol
A
- 4045-44-7
1,2,3,4,5-pentamethylcyclopentadiene
B
- 5736-88-9
p-butoxybenzaldehyde
| Conditions | Yield |
|---|---|
| In toluene at 110℃; for 3h; | A n/a B 97% |
- 874964-03-1
10-chloro-1-(1,2,3,4,5-pentamethyl-2,4-cyclopentadienyl)-1-decanol
A
- 874963-99-2
10-chlorodecanal
B
- 4045-44-7
1,2,3,4,5-pentamethylcyclopentadiene
| Conditions | Yield |
|---|---|
| With 2,3-dicyano-5,6-dichloro-p-benzoquinone In toluene at 110℃; for 12h; | A 95% B n/a |
| Conditions | Yield |
|---|---|
| In toluene at 110℃; for 3h; | A n/a B 93% |
A
- 4045-44-7
1,2,3,4,5-pentamethylcyclopentadiene
B
- 97382-57-5
4-isobutyrylbenzaldehyde
| Conditions | Yield |
|---|---|
| With trichloroacetic acid In dichloromethane at 28℃; for 1.5h; | A n/a B 93% |
- 862387-12-0
(4-bromophenyl)(1,2,3,4,5-pentamethyl-2,4-cyclopentadienyl)methanol
A
- 4045-44-7
1,2,3,4,5-pentamethylcyclopentadiene
B
- 1122-91-4
4-bromo-benzaldehyde
| Conditions | Yield |
|---|---|
| With trichloroacetic acid In dichloromethane at 28℃; for 1.5h; | A n/a B 92% |
- 874963-98-1
1-(1,2,3,4,5-pentamethyl-2,4-cyclopentadienyl)-1-dodecanol
A
- 112-54-9
Dodecanal
B
- 4045-44-7
1,2,3,4,5-pentamethylcyclopentadiene
| Conditions | Yield |
|---|---|
| With 2,3-dicyano-5,6-dichloro-p-benzoquinone In toluene at 110℃; for 12h; | A 92% B n/a |
- 73057-50-8
5-formylpentamethylcyclopentadiene
- 4045-44-7
1,2,3,4,5-pentamethylcyclopentadiene
| Conditions | Yield |
|---|---|
| With n-butyllithium; cyclopenta-1,3-diene In tetrahydrofuran; hexane | 91% |
- 862387-17-5
methyl 4-[(hydroxy)(1,2,3,4,5-pentamethyl-2,4-cyclopentadienyl)methyl]benzoate
A
- 4045-44-7
1,2,3,4,5-pentamethylcyclopentadiene
B
- 1571-08-0
methyl 4-formylbenzoate
| Conditions | Yield |
|---|---|
| With trichloroacetic acid In dichloromethane at 28℃; for 1.5h; | A n/a B 91% |
1,2,3,4,5-Pentamethylcyclopentadiene Chemical Properties
IUPAC Name: 1,2,3,4,5-Pentamethylcyclopenta-1,3-diene
Systematic of 1,2,3,4,5-Pentamethylcyclopentadiene (CAS NO.4045-44-7): EINECS 223-743-4
CAS NO: 4045-44-7
Molecular Formula of 1,2,3,4,5-Pentamethylcyclopentadiene (CAS NO.4045-44-7): C10H16
Molecular Weight: 136.234
Molecular Structure:
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Melting Point: 236 °C
ProductCategories: Alkenes ; Cyclic ; Organic Building Blocks
Index of Refraction: 1.459
Molar Refractivity: 45.79 cm3
Molar Volume: 167.2 cm3
Surface Tension: 21.2 dyne/cm
Density of 1,2,3,4,5-Pentamethylcyclopentadiene (CAS NO.4045-44-7): 0.814 g/cm3
Flash Point: 44.4 °C
Enthalpy of Vaporization: 38.99 kJ/mol
Boiling Point: 170.2 °C at 760 mmHg
Vapour Pressure: 1.97 mmHg at 25°C
1,2,3,4,5-Pentamethylcyclopentadiene Uses
1,2,3,4,5-Pentamethylcyclopentadiene is used as an in situ growth modifier chemical for the chemical vapour deposition of IRON from IRON pentacarbonyl.
1,2,3,4,5-Pentamethylcyclopentadiene Toxicity Data With Reference
1、RTECS#: CAS# 4045-44-7: None listed
2、LD50/LC50: RTECS: Not available.
3、Carcinogenicity: 1,2,3,4,5-Pentamethylcyclopentadiene - Not listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.
4、Other: The toxicological properties have not been fully investigated.
1,2,3,4,5-Pentamethylcyclopentadiene Safety Profile
Risk Statements: 10
R10: Flammable.
Safety Statements: 16
S16: Keep away from sources of ignition.
RIDADR: UN 3295 3/PG 3
WGK Germany: 3
F: 9-23
HazardClass: 3
PackingGroup: III
HS Code: 29021990
1,2,3,4,5-Pentamethylcyclopentadiene Specification
Handling and Storage of 1,2,3,4,5-Pentamethylcyclopentadiene
Handling: Use spark-proof tools and explosion proof equipment. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage: Keep away from sources of ignition. Store in a cool, dry place. Do not store in direct SUNLIGHT. Store in a tightly closed container. Flammables-area.
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