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Cas Database |
| Name |
3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarbonyl chloride |
EINECS | 257-840-8 |
| CAS No. | 52314-67-7 | Density | 1.424 g/cm3 |
| PSA | 17.07000 | LogP | 3.34300 |
| Solubility | 123.2mg/L at 25℃ | Melting Point |
N/A |
| Formula | C8H9Cl3O | Boiling Point | 242.4 °C at 760 mmHg |
| Molecular Weight | 227.518 | Flash Point | 98.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2,2-Dimethyl-3-(2,2-dichloroethenyl)cyclopropanecarbonylchloride;2,2-Dimethyl-3-(2,2-dichlorovinyl)cyclopropanecarbonyl chloride;3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl chloride;3-(2,2-Dichlorovinyl)-2,2-dimethyl-1-cyclopropanecarbonyl chloride;3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarbonyl chloride; |
Article Data | 22 |
3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarbonyl chloride Synthetic route
- 55701-05-8
3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid
- 52314-67-7
permethric acid chloride
| Conditions | Yield |
|---|---|
| With phosgene; triethylamine at 100℃; for 2h; | 96.1% |
| With thionyl chloride Heating; | |
| With thionyl chloride Heating; |
- 52315-07-8, 65731-83-1, 65731-84-2, 65732-07-2, 66290-20-8, 66290-21-9, 66841-24-5, 67375-30-8, 70982-01-3, 70982-02-4, 71697-59-1, 72204-43-4, 72204-44-5, 83860-31-5, 83860-32-6, 137430-99-0, 137432-55-4
(RS)-α-cyano-3-phenoxybenzyl (1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane carboxylate
- 52314-67-7
permethric acid chloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 73.4 percent / 1 M aq. NaOH / tetrahydrofuran / 36 h / Heating 2: SOCl2 / Heating View Scheme |
- 79-37-8
oxalyl dichloride
- 55701-05-8
3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid
- 52314-67-7
permethric acid chloride
- 55701-05-8
3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid
- 52314-67-7
permethric acid chloride
| Conditions | Yield |
|---|---|
| With potassium hydroxide; thionyl chloride In ethanol; dichloromethane; water; N,N-dimethyl-formamide |
- 59609-49-3
ethyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate
- 55701-05-8
3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid
- 52314-67-7
permethric acid chloride
| Conditions | Yield |
|---|---|
| With potassium hydroxide; thionyl chloride In methanol; benzene |
- 52314-67-7
permethric acid chloride
- 62-53-3
aniline
| Conditions | Yield |
|---|---|
| With 1-methyl-1H-imidazole; N,N,N,N,-tetramethylethylenediamine; potassium carbonate In acetonitrile at 0 - 5℃; for 1h; | 99% |
| With 1-methyl-1H-imidazole; N,N,N,N,-tetramethylethylenediamine; potassium carbonate In potassium hydroxide at 20 - 25℃; for 1.5h; pH=11.5; Schotten-Baumann-type reaction; | 98% |
| Conditions | Yield |
|---|---|
| Stage #1: m-phenoxybenzaldehyde-13C6 With sodium tetrahydroborate In d(4)-methanol for 0.0833333h; Stage #2: permethric acid chloride In d(4)-methanol at 60℃; under 2327.23 Torr; for 0.166667h; Microwave irradiation; | 98.1% |
- 52314-67-7
permethric acid chloride
- 83582-60-9
4-Hydroxy-4-(3-phenoxyphenyl)butyronitril
| Conditions | Yield |
|---|---|
| With pyridine In toluene at 25℃; | 98% |
- 773837-37-9
sodium cyanide
- 52314-67-7
permethric acid chloride
| Conditions | Yield |
|---|---|
| In water-d2 at 40℃; under 2068.65 Torr; for 0.133333h; Microwave irradiation; | 97.4% |
- 52314-67-7
permethric acid chloride
- 143-33-9
sodium cyanide
| Conditions | Yield |
|---|---|
| With tetrabutylammomium bromide In water; toluene at 25℃; for 6h; | 97% |
3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarbonyl chloride Specification
The CAS register number of Cyclopropanecarbonylchloride, 3-(2,2-dichloroethenyl)-2,2-dimethyl- is 52314-67-7. It also can be called as 2,2-Dimethyl-3-(2,2-dichloroethenyl)cyclopropanecarbonylchloride and the IUPAC name about this chemical is 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride. The molecular formula about this chemical is C8H9Cl3O and the molecular weight is 227.52.
Physical properties about Cyclopropanecarbonylchloride, 3-(2,2-dichloroethenyl)-2,2-dimethyl- are: (1)ACD/LogP: 3.27; (2)ACD/LogD (pH 5.5): 3.27; (3)ACD/LogD (pH 7.4): 3.27; (4)ACD/BCF (pH 5.5): 181.28; (5)ACD/BCF (pH 7.4): 181.28; (6)ACD/KOC (pH 5.5): 1439.24; (7)ACD/KOC (pH 7.4): 1439.24; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.07Å2; (11)Index of Refraction: 1.58; (12)Molar Refractivity: 53.23 cm3; (13)Molar Volume: 159.7 cm3; (14) Polarizability: 21.1x10-24cm3; (15)Surface Tension: 47.2 dyne/cm; (16)Enthalpy of Vaporization: 47.93 kJ/mol; (17)Boiling Point: 242.4 °C at 760 mmHg; (18)Vapour Pressure: 0.0341 mmHg at 25°C.
Uses of Cyclopropanecarbonylchloride, 3-(2,2-dichloroethenyl)-2,2-dimethyl-: it can be used to produce 3-(2,2-dichloro-vinyl)-2,2-dimethyl-cyclopropanecarboxylic acid 1-benzo[1,3]dioxol-5-yl-2,2,2-trichloro-ethyl ester with 1-benzo[1,3]dioxol-5-yl-2,2,2-trichloro-ethanol at temperature of 20 ℃. This reaction will need reagent pyridine and solvent benzene with reaction time of 12 hours. The yield is about 73.9%.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl/C(Cl)=C/C1C(C(Cl)=O)C1(C)C
(2)InChI: InChI=1/C8H9Cl3O/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3
(3)InChIKey: CHLAOFANYRDCPD-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H9Cl3O/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3
(5)Std. InChIKey: CHLAOFANYRDCPD-UHFFFAOYSA-N
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