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| CAS No.: | 18600-59-4 |
|---|---|
| Name: | 2,2'-(1,4-PHENYLENE)BIS-4H-3,1-BENZOXAZIN-4-ONE |
| Molecular Structure: | |
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| Formula: | C22H12N2O4 |
| Molecular Weight: | 368.348 |
| Synonyms: | 4H-3,1-Benzoxazin-4-one,2,2'-p-phenylenebis- (8CI);2,2'-(1,4-Phenylene)bis(4H-3,1-benzoxazin-4-one);2,2'-(1,4-Phenylene)bis[3,1-benzoxazin-4-one];2,2'-p-Phenylenebis(3,1-benzoxazin-4-one);2,2'-p-Phenylenebis[4H-3,1-benzoxazin-4-one];CEi-P;CEi-P-A;Cyasorb UV 3638;Pionin ZA 101; |
| EINECS: | 418-280-1 |
| Density: | 1.41 g/cm3 |
| Melting Point: | 315 °C |
| Boiling Point: | 522.8 °C at 760 mmHg |
| Flash Point: | 224.1 °C |
| Solubility: | 112μg/L at 20℃ |
| Appearance: | off-white to light yellow crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 43-53 |
| Safety: | 24-37-61 |
| PSA: | 86.20000 |
| LogP: | 4.02340 |
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Specification
The IUPAC name of 2,2'-Benzene-1,4-diylbis(4H-3,1-benzoxazin-4-one) is 2-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one. With the CAS registry number , it is also named as 4H-3,1-Benzoxazin-4-one, 2,2'-(1,4-phenylene)bis-. The product's category is UV Absorber. Besides, this chemical is a highly efficient high molecular weight UV absorber which provides excellent compatibility and relative low volatility for most polymers, in particular for engineering plastics. It is off-white to light yellow crystalline powder. In addition, its molecular formula is C22H12N2O4 and molecular weight is 368.34.
The other characteristics of this product can be summarized as: (1)EINECS: 418-280-1; (2)ACD/LogP: 3.38; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 3.37; (5)ACD/LogD (pH 7.4): 3.38; (6)ACD/BCF (pH 5.5): 216.24; (7)ACD/BCF (pH 7.4): 216.31; (8)ACD/KOC (pH 5.5): 1632.76; (9)ACD/KOC (pH 7.4): 1633.24; (10)H bond acceptors: 6; (11)H bond donors: 0; (12)Freely Rotating Bonds: 2; (13)Index of Refraction: 1.708; (14)Molar Refractivity: 101.78 cm3; (15)Molar Volume: 260.9 cm3; (16)Surface Tension: 57.6 dyne/cm; (17)Density: 1.41 g/cm3; (18)Flash Point: 224.1 °C; (19)Melting Point 315 °C; (20)Enthalpy of Vaporization: 79.64 kJ/mol; (21)Boiling Point: 522.8 °C at 760 mmHg; (22)Vapour Pressure: 5E-11 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following: 2,2'-Benzene-1,4-diylbis(4H-3,1-benzoxazin-4-one) may cause sensitization by skin contact. You should wear suitable gloves to avoid contact with skin. Moreover, it may cause long-term adverse effects in the aquatic environment. Please avoid release to the environment. And you should refer to special instructions / safety data sheets.
People can use the following data to convert to the molecule structure.
(1)SMILES:O=C2O/C(=N\c1ccccc12)c5ccc(C/4=N/c3c(cccc3)C(=O)O\4)cc5
(2)InChI:InChI=1/C22H12N2O4/c25-21-15-5-1-3-7-17(15)23-19(27-21)13-9-11-14(12-10-13)20-24-18-8-4-2-6-16(18)22(26)28-20/h1-12H
(3)InChIKey:BBITXNWQALLODC-UHFFFAOYAL
(4)Std. InChI:InChI=1S/C22H12N2O4/c25-21-15-5-1-3-7-17(15)23-19(27-21)13-9-11-14(12-10-13)20-24-18-8-4-2-6-16(18)22(26)28-20/h1-12H
(5)Std. InChIKey:BBITXNWQALLODC-UHFFFAOYSA-N