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CAS No.: | 6761-70-2 |
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Name: | 2,3-DIHYDRO-1,4-BENZODIOXINE-6-CARBONYL CHLORIDE |
Molecular Structure: | |
Formula: | C9H7ClO3 |
Molecular Weight: | 198.606 |
Synonyms: | 1,4-Benzodioxan-6-carbonylchloride (7CI,8CI);2,3-Dihydro-1,4-benzodioxine-6-carbonyl chloride; |
Density: | 1.371 g/cm3 |
Melting Point: | 100 °C |
Boiling Point: | 301.7 °C at 760 mmHg |
Flash Point: | 135.7 °C |
Hazard Symbols: | Xi |
Risk Codes: | 34-20/22-14-29 |
Safety: | 26-36/37/39-45 |
PSA: | 35.53000 |
LogP: | 1.83680 |
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The 1,4-Benzodioxin-6-carbonylchloride, 2,3-dihydro-, with the CAS registry number 6761-70-2, is also known as 2H,3H-Benzo[e]1,4-dioxane-6-carbonyl chloride. This chemical's molecular formula is C9H7ClO3 and molecular weight is 198.6. Its systematic name is called 2,3-dihydro-1,4-benzodioxine-6-carbonyl chloride. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of 1,4-Benzodioxin-6-carbonylchloride, 2,3-dihydro-: (1)ACD/LogP: 2.38; (2)ACD/LogD (pH 5.5): 2.38; (3)ACD/LogD (pH 7.4): 2.38; (4)ACD/BCF (pH 5.5): 37.65; (5)ACD/BCF (pH 7.4): 37.65; (6)ACD/KOC (pH 5.5): 467.23; (7)ACD/KOC (pH 7.4): 467.23; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.566; (11)Molar Refractivity: 47.27 cm3; (12)Molar Volume: 144.7 cm3; (13)Surface Tension: 50.8 dyne/cm; (14)Density: 1.371 g/cm3; (15)Flash Point: 135.7 °C; (16)Enthalpy of Vaporization: 54.19 kJ/mol; (17)Boiling Point: 301.7 °C at 760 mmHg; (18)Vapour Pressure: 0.00104 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)c1ccc2OCCOc2c1
(2)InChI: InChI=1/C9H7ClO3/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2
(3)InChIKey: QECXDXFCJKMZLA-UHFFFAOYAY