1,3-Isobenzofurandione-4,5,6,7-d4 supplier

Name
PHTHALIC-D4 ANHYDRIDE
EINECS
CAS No. 75935-32-9
Article Data3
CAS DataBase
Density 1.483 g/cm³
Solubility
Melting Point 131-134 °C(lit.)
Formula C₈D₄O₃
Boiling Point 295 °C at 760 mmHg
Molecular Weight 152.086
Flash Point 139.7 °C
Transport Information UN 2214 8/PG 3
Appearance
Safety 26-36
Risk Codes 22-36/37/38-42/43
Molecular Structure
Hazard Symbols Xn
Synonyms Phthalic-d4anhydride (7CI);(2H₄)-2-benzofuran-1,3-dione;1,3-isobenzofurandione-d4;Phthalic anhydride-d4;Phthalic-3,4,5,6-d4 Anhydride;
PSA 43.37000
LogP 0.99720

1,3-Isobenzofurandione-4,5,6,7-d4 Specification

The 1,3-Isobenzofurandione-4,5,6,7-d4, with the CAS registry number 75935-32-9, has the systematic name of (2H₄)-2-benzofuran-1,3-dione. It belongs to the following product categories: Alphabetical Listings; P; Stable Isotopes. And the molecular formula of the chemical is C₈D₄O₃.

The characteristics of 1,3-Isobenzofurandione-4,5,6,7-d4 are as followings: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.6; (4)ACD/LogD (pH 7.4): 1.6; (5)ACD/BCF (pH 5.5): 9.68; (6)ACD/BCF (pH 7.4): 9.68; (7)ACD/KOC (pH 5.5): 176.77; (8)ACD/KOC (pH 7.4): 176.77; (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: 1.612; (14)Molar Refractivity: 35.68 cm³; (15)Molar Volume: 102.5 cm³; (16)Polarizability: 14.14×10^-24cm³; (17)Surface Tension: 58 dyne/cm; (18)Density: 1.483 g/cm³; (19)Flash Point: 139.7 °C; (20)Enthalpy of Vaporization: 53.47 kJ/mol; (21)Boiling Point: 295 °C at 760 mmHg; (22)Vapour Pressure: 0.00157 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is harmful if swallowed, and it also irritates to eyes, respiratory system and skin. What's more, it may cause sensitization by inhalation and skin contact. Therefore, you had better take the following instructions: Wear suitable protective clothing, 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: O=C1OC(=O)c2c1c([2H])c([2H])c([2H])c2[2H]
(2)InChI: InChI=1/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H/i1D,2D,3D,4D
(3)InChIKey: LGRFSURHDFAFJT-RHQRLBAQEG

Product Name

PHTHALIC-D4 ANHYDRIDE

1,3-Isobenzofurandione-4,5,6,7-d4 Specification

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