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| CAS No.: | 118-45-6 |
|---|---|
| Name: | 4-Chlorophthalic anhydride |
| Molecular Structure: | |
|
|
|
| Formula: | C8H3ClO3 |
| Molecular Weight: | 182.563 |
| Synonyms: | 5-chloroisobenzofuran-1,3-dione;4-Chlorophthalic Acid Anhydride; |
| EINECS: | 204-251-9 |
| Density: | 1.594 g/cm3 |
| Melting Point: | 96 °C |
| Boiling Point: | 299.8 °C at 760 mmHg |
| Flash Point: | 142.4 °C |
| Appearance: | white crystal powder |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 43.37000 |
| LogP: | 1.65060 |
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- 1204-28-0
trimellitic anhydride acid chloride
A
- 85-44-9
phthalic anhydride
B
- 118-45-6
4-chlorophthalic anhydride
| Conditions | Yield |
|---|---|
| palladium dichloride In melt at 290℃; for 2h; Product distribution; other temperatures and other catalysts (Pd/C, Pd(PPh3)4); | A 1% B 99% |
| tetrakis(triphenylphosphine) palladium(0) In melt at 265℃; for 16h; | A 10% B 79% |
| Conditions | Yield |
|---|---|
| With acetic anhydride for 3h; Heating; | 98% |
| With acetic anhydride for 1h; Heating; | 90% |
| With acetic anhydride for 2h; Reflux; | 88% |
| Conditions | Yield |
|---|---|
| With bis(tri-ortho-tolylphosphine)palladium(0); dicyclohexyl-(2′,4′,6′-triisopropyl-3,6-dimethoxy-[1,1′-biphenyl]-2-yl)phosphine In toluene at 130℃; for 20h; Inert atmosphere; Glovebox; | 84% |
- 56047-23-5
monosodique de l'acide chloro-4 phtalique
- 118-45-6
4-chlorophthalic anhydride
| Conditions | Yield |
|---|---|
| With thionyl chloride for 2h; Heating; | 70% |
| With sulfuric acid In acetic anhydride for 3h; Heating; | |
| With thionyl chloride for 2h; Reflux; |
| Conditions | Yield |
|---|---|
| With sulfuric acid; chlorine at 50℃; in Gegenwart von Jod; | |
| With chlorine In water at 70℃; for 12h; |
| Conditions | Yield |
|---|---|
| at 280℃; |
| Conditions | Yield |
|---|---|
| With chlorine at 230 - 250℃; |
- 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; |
| Conditions | Yield |
|---|---|
| at 340℃; |
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Chemistry
Structure of 4-Chlorophthalic anhydride (CAS NO.118-45-6):
IUPAC Name: 5-chloro-2-benzofuran-1,3-dione
Empirical Formula: C8H3ClO3
Molecular Weight: 182.5606
EINECS: 204-251-9
Index of Refraction: 1.626 Molar
Refractivity: 40.57 cm3
Molar Volume: 114.5 cm3
Polarizability: 16.08 10-24cm3
Surface Tension: 61.1 dyne/cm
Density: 1.594 g/cm3
Flash Point: 142.4 °C
Enthalpy of Vaporization: 53.99 kJ/mol
Melting Point: 96°C
Boiling Point: 299.8 °C at 760 mmHg
Vapour Pressure: 0.00116 mmHg at 25°C
Product Categories: Acids and Derivatives;Phthalic Acids, Esters and Derivatives
Canonical SMILES: C1=CC2=C(C=C1Cl)C(=O)OC2=O
InChI: InChI=1S/C8H3ClO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3H
InChIKey: BTTRMCQEPDPCPA-UHFFFAOYSA-N
Production
4-Chlorophthalic anhydride (CAS NO.118-45-6) can be produced by chlorination of phthalic anhydride.
Safety Profile
Risk Statements: 36/37/38
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36/37/39
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
Specification
4-Chlorophthalic anhydride , its cas register number is 118-45-6. It also can be called 1,3-isobenzofurandione, 5-chloro- ;
5-Chloro-2-benzofuran-1,3-dione ; 4-Chlorophthalic anhydride ; phthalic anhydride, 4-chloro- .