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3,4,5,6-Tetrahydrophthalic anhydride

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3,4,5,6-Tetrahydrophthalic anhydride

EINECS 219-374-3
CAS No. 2426-02-0 Density 1.29 g/cm3
PSA 43.37000 LogP 0.94040
Solubility react with water Melting Point 69-73 °C(lit.)
Formula C8H8O3 Boiling Point 302.3 °C at 760 mmHg
Molecular Weight 152.15 Flash Point 146.1 °C
Transport Information N/A Appearance White to cream crystalline powder
Safety 26-36-61-37/39-24-22 Risk Codes 36/37/38-52/53-42/43-41
Molecular Structure Molecular Structure of 2426-02-0 (3,4,5,6-Tetrahydrophthalic anhydride) Hazard Symbols IrritantXi,HarmfulXn
Synonyms

1-Cyclohexene-1,2-dicarboxylicanhydride (6CI,7CI,8CI);1-Cyclohexene-1,2-dicarboxylic acid anhydride;3,4,5,6-Tetrahydrophthalic acid anhydride;3,4,5,6-Tetrahydrophthalicanhydride;4,5,6,7-Tetrahydro-isobenzofuran-1,3-dione;NSC 11211;NSC 61333;Rikacid HT 1A;d1-Tetrahydrophthalic anhydride;

Article Data 24

3,4,5,6-Tetrahydrophthalic anhydride Specification

The 3,4,5,6-Tetrahydrophthalic anhydride is an organic compound with the formula C8H8O3. The IUPAC name of this chemical is 4,5,6,7-tetrahydro-2-benzofuran-1,3-dione. With the CAS registry number 2426-02-0, it is also named as 1-Cyclohexene-1,2-dicarboxylic Anhydride. The product's category is Diels-Alder Adducts. Besides, it should be stored in a cool dry and well-ventilated place. It is used as a pesticide, herbicide, epoxy curing agent.

Physical properties about 3,4,5,6-Tetrahydrophthalic anhydride are: (1)ACD/LogP: 1.26; (2)ACD/LogD (pH 5.5): 1.25; (3)ACD/LogD (pH 7.4): 1.25; (4)ACD/BCF (pH 5.5): 5.29; (5)ACD/BCF (pH 7.4): 5.29; (6)ACD/KOC (pH 5.5): 114.69; (7)ACD/KOC (pH 7.4): 114.69; (8)#H bond acceptors: 3; (9)Polar Surface Area: 43.37 Å2; (10)Index of Refraction: 1.534; (11)Molar Refractivity: 36.42 cm3; (12)Molar Volume: 117.1 cm3; (13)Polarizability: 14.44×10-24cm3; (14)Surface Tension: 44.3 dyne/cm; (15)Density: 1.29 g/cm3; (16)Flash Point: 146.1 °C; (17)Enthalpy of Vaporization: 54.25 kJ/mol; (18)Boiling Point: 302.3 °C at 760 mmHg; (19)Vapour Pressure: 0.001 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,2,3,6 - tetrahydro phthalic anhydride and phosphorus pentoxide. The reaction temperature is 200 °C.

When you are using this chemical, please be cautious about it as the following:
It risk of serious damage to eyes and may cause sensitisation by inhalation and skin contact. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. It is harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment, do not breathe dust and avoid contact with skin.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1OC(=O)/C2=C/1CCCC2
(2)InChI: InChI=1/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H2
(3)InChIKey: HMMBJOWWRLZEMI-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H2
(5)Std. InChIKey: HMMBJOWWRLZEMI-UHFFFAOYSA-N

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