Products Categories
| CAS No.: | 6295-21-2 |
|---|---|
| Name: | 3-Chlorophthalide |
| Article Data: | 17 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H5ClO2 |
| Molecular Weight: | 168.579 |
| Synonyms: | 3-CHLOROPHTHALIDE;3-chloro-2-benzofuran-1(3H)-one;3-chloroisobenzofuran-1(3H)-one;3-CHLOROPHTHALIDE,97%;1(3H)-Isobenzofuranone, 3-chloro- |
| EINECS: | 228-562-4 |
| Density: | 1.41 g/cm3 |
| Melting Point: | 59-60℃ |
| Boiling Point: | 302.6 °C at 760 mmHg |
| Flash Point: | 161.2 °C |
| PSA: | 26.30000 |
| LogP: | 2.09440 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 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
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- Total:25 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
This chemical is called 3-Chlorophthalide, and its IUPAC name is 3-chloro-3H-2-benzofuran-1-one. With the molecular formula of C8H5ClO2, its molecular weight is 168.58. The CAS registry number of this chemical is 6295-21-2, and its product category is Phthalides.
Other characteristics of the 3-Chlorophthalide can be summarised as followings: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 3.62; (6)ACD/BCF (pH 7.4): 3.62; (7)ACD/KOC (pH 5.5): 87.41; (8)ACD/KOC (pH 7.4): 87.41; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 40.62 cm3; (15)Molar Volume: 119.2 cm3; (16)Polarizability: 16.1×10-24cm3; (17)Surface Tension: 48.5 dyne/cm; (18)Density: 1.41 g/cm3; (19)Flash Point: 161.2 °C; (20)Enthalpy of Vaporization: 54.28 kJ/mol; (21)Boiling Point: 302.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000981 mmHg at 25°C.
Production method of this chemical: The 3-Chlorophthalide could be obtained by the reactant of 3H-isobenzofuran-1-one. This reaction needs the reagent of SO2Cl2, and the solvent of benzene. The yield is 80 %. In addition, this reaction should be taken for 3 hours. The other condition is irradiation.
.jpg)
Uses of this chemical: The 3-Chlorophthalide could react with pyrrolidine, and obtain the 1-(2-Formylbenzoyl)pyrrolidine. This reaction needs the solvent of acetone. The yield is 38 %. In addition, this reaction should be taken for 1 hour at the ambient temperature.
.jpg)
You can still convert the following datas into molecular structure:
1.SMILES: O=C1OC(Cl)c2ccccc12
2.InChI: InChI=1/C8H5ClO2/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,7H
3.InChIKey: GHZPDRVHYHFILK-UHFFFAOYAH