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4466-59-5

Basic Information
CAS No.: 4466-59-5
Name: 3,6-Dichlorophthalic anhydride
Article Data: 14
Molecular Structure:
Molecular Structure of 4466-59-5 (3,6-Dichlorophthalic anhydride)
Formula: C8H2 Cl2 O3
Molecular Weight: 217.008
Synonyms: Phthalicanhydride, 3,6-dichloro- (6CI,7CI,8CI); 3,6-Dichlorophthalic acid anhydride;3,6-Dichlorophthalic anhydride
EINECS: 224-733-2
Density: 1.715g/cm3
Melting Point: 188-190 ºC
Boiling Point: 339°Cat760mmHg
Flash Point: 159.3°C
Appearance: off-white to white powder
Hazard Symbols:
Risk Codes: R36/37/38   
Safety: S26;S36
PSA: 43.37000
LogP: 2.30400
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Chemistry


IUPAC Name: 4,7-Dichloro-2-benzofuran-1,3-dione
Canonical SMILES: C1=CC(=C2C(=C1Cl)C(=O)OC2=O)Cl
InChI: InChI=1S/C8H2Cl2O3/c9-3-1-2-4(10)6-5(3)7(11)13-8(6)12/h1-2H
InChIKey: HEGLMCPFDADCAQ-UHFFFAOYSA-N
Molecular Weight: 217.00568 [g/mol]
Molecular Formula: C8H2Cl2O3
XLogP3-AA: 2.5
H-Bond Donor: 0
H-Bond Acceptor: 3 
EINECS: 224-733-2
Product Categories: Anhydride Monomers; Monomers; Polymer Science 
Index of Refraction: 1.638
Molar Refractivity: 45.47 cm3
Molar Volume: 126.4 cm3
Surface Tension: 63.7 dyne/cm
Density: 1.715 g/cm3
Flash Point: 159.3 °C
Enthalpy of Vaporization: 58.25 kJ/mol
Boiling Point: 339 °C at 760 mmHg
Vapour Pressure: 9.43E-05 mmHg at 25 °C
Melting Point: 188-190 °C(lit.)
Appearance of 3,6-Dichlorophthalic anhydride (CAS NO.4466-59-5): off-white to white powder

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany of 3,6-Dichlorophthalic anhydride (CAS NO.4466-59-5): 3

Specification

  3,6-Dichlorophthalic anhydride (CAS NO.4466-59-5), its Synonyms are 3,6-Dichloro-phthalic anhydride ; 4,7-Dichloro-2-benzofuran-1,3-dione ; 1,3-Isobenzofurandione, 4,7-dichloro- .