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| CAS No.: | 942-06-3 |
|---|---|
| Name: | 4,5-DICHLOROPHTHALIC ANHYDRIDE |
| Article Data: | 34 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H2Cl2O3 |
| Molecular Weight: | 217.008 |
| Synonyms: | Phthalicanhydride, 4,5-dichloro- (6CI,7CI,8CI);4,5-Dichlorophthalic anhydride;5,6-Dichloro-1,3-isobenzofurandione;5,6-Dichloro-2-benzofuran-1,3-dione;1,3-isobenzofurandione, 5,6-dichloro-;4,5-Dichlorophthalic Anhydride;5,6-Dichloro-1,3-Dihydro-2-Benzofuran-1,3-Dione; |
| EINECS: | 213-386-2 |
| Density: | 1.715 g/cm3 |
| Melting Point: | 185-187 °C(lit.) |
| Boiling Point: | 313 °C at 760 mmHg |
| Flash Point: | 144.8 °C |
| Appearance: | Light grey to pale blue powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 43.37000 |
| LogP: | 2.30400 |
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
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- 943976-22-5Mefway
- 943962-59-2Tosyl-Mefway
- 56962-08-4
4,5-dichlorophthalic acid
- 942-06-3
4,5-dichlorophthalic anhydride
| Conditions | Yield |
|---|---|
| With acetyl chloride for 2h; Reflux; | 100% |
| With acetic anhydride for 2h; Heating; | 97% |
| With acetic anhydride at 165℃; for 5h; | 96% |
| Conditions | Yield |
|---|---|
| 99.6% |
| Conditions | Yield |
|---|---|
| With alkaline solution; chlorine in Gegenwart von Antimon-Salzen; |
- 85-44-9
phthalic anhydride
A
- 118-45-6
4-chlorophthalic anhydride
B
- 117-21-5
3-chlorophthalic anhydride
C
- 942-06-3
4,5-dichlorophthalic anhydride
D
- 51971-64-3
4,6-dichloroisobenzofuran-1,3-diketone
| Conditions | Yield |
|---|---|
| With chlorine at 390℃; Product distribution; var. temp, var. conc. of Cl2; | |
| With chlorine at 420℃; Yield given. Yields of byproduct given. Title compound not separated from byproducts; | |
| With chlorine at 390℃; Yield given. Yields of byproduct given. Title compound not separated from byproducts; |
- 85-44-9
phthalic anhydride
- 7664-93-9
sulfuric acid
- 7553-56-2
iodine
- 7782-50-5
chlorine
A
- 942-06-3
4,5-dichlorophthalic anhydride
B
- 4466-59-5
3,6-dichlorophthalic anhydride
C
- 56962-07-3
3,4-dichlorophthalic anhydride
| Conditions | Yield |
|---|---|
| at 40 - 60℃; |
- 942-06-3
4,5-dichlorophthalic anhydride
| Conditions | Yield |
|---|---|
| With bromine In 1,2,3-trichlorobenzene |
- 56962-08-4
4,5-dichlorophthalic acid
A
- 942-06-3
4,5-dichlorophthalic anhydride
| Conditions | Yield |
|---|---|
| With sodium percarbonate In dichloromethane for 24h; Inert atmosphere; Overall yield = 56 %; Overall yield = 12 g; |
- 67-56-1
methanol
- 942-06-3
4,5-dichlorophthalic anhydride
- 145303-69-1
4,5-dichloro-2-methoxycarbonyl benzoic acid
| Conditions | Yield |
|---|---|
| With sodium methylate | 100% |
| for 18h; Reflux; | 87% |
- 942-06-3
4,5-dichlorophthalic anhydride
- 15997-89-4
4,5-dichlorophthalimide
| Conditions | Yield |
|---|---|
| With formamide at 180 - 190℃; | 100% |
| With formamide for 3h; Heating; | 98% |
| With formamide for 0.0666667h; microwave irradiation; | 96% |
- 942-06-3
4,5-dichlorophthalic anhydride
- 145303-69-1
4,5-dichloro-2-methoxycarbonyl benzoic acid
| Conditions | Yield |
|---|---|
| Stage #1: 4,5-dichlorophthalic anhydride With sodium methylate In methanol for 12h; Heating / reflux; Stage #2: With hydrogenchloride In methanol; water | 99.5% |
| Stage #1: 4,5-dichlorophthalic anhydride With sodium methylate In methanol for 12h; Heating / reflux; Stage #2: With hydrogenchloride In methanol; water | 99.5% |
| In methanol |
- Total:36 Page 1 of 1 1
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Specification
The 1,3-Isobenzofurandione,5,6-dichloro-, with the CAS registry number 942-06-3 and EINECS registry number 213-386-2, has the systematic name of 5,6-dichloro-2-benzofuran-1,3-dione. It is a kind of light grey to pale blue powder, and belongs to the following product categories: Anhydride Monomers; Monomers; Polymer Science. And the molecular formula of the chemical is C8H2Cl2O3.
The characteristics of 1,3-Isobenzofurandione,5,6-dichloro- are as followings: (1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.66; (4)ACD/LogD (pH 7.4): 2.66; (5)ACD/BCF (pH 5.5): 62.43; (6)ACD/BCF (pH 7.4): 62.43; (7)ACD/KOC (pH 5.5): 671.04; (8)ACD/KOC (pH 7.4): 671.04; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 45.47 cm3; (15)Molar Volume: 126.4 cm3; (16)Polarizability: 18.02×10-24cm3; (17)Surface Tension: 63.7 dyne/cm; (18)Density: 1.715 g/cm3; (19)Flash Point: 144.8 °C; (20)Enthalpy of Vaporization: 55.4 kJ/mol; (21)Boiling Point: 313 °C at 760 mmHg; (22)Vapour Pressure: 0.00051 mmHg at 25°C.
Preparation of 1,3-Isobenzofurandione,5,6-dichloro-: This chemical can be prepared by 4,5-dichloro-phthalic acid. The reaction will need reagent acetic anhydride. The reaction time is 0.5 hours with heating, and the yield is about 92%.
Uses of 1,3-Isobenzofurandione,5,6-dichloro-: It can react with methylamine; hydrochloride to produce 5,6-dichloro-2-methyl-isoindole-1,3-dione. This reaction will need reagent NaOAc, and the menstruum acetic acid. The reaction time is 1 hour with heating, and the yield is about 91%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc2C(=O)OC(=O)c2cc1Cl
(2)InChI: InChI=1/C8H2Cl2O3/c9-5-1-3-4(2-6(5)10)8(12)13-7(3)11/h1-2H
(3)InChIKey: ULSOWUBMELTORB-UHFFFAOYAF