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| CAS No.: | 1018-79-7 |
|---|---|
| Name: | 1,4-Dihydroxy-2,3-naphthalenedicarbonitrile |
| Molecular Structure: | |
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| Formula: | C12H6N2O2 |
| Molecular Weight: | 210.192 |
| Synonyms: | 1,4-Dihydroxy-2,3-dicyanonaphthalene;2,3-Dicyano-1,4-dihydroxynaphthalene;2,3-Dicyano-1,4-naphthohydroquinone;2,3-Dicyanonaphthalene-1,4-diol;NSC 128281; |
| Density: | 1.51 g/cm3 |
| Melting Point: | >300 °C |
| Boiling Point: | 534 °C at 760 mmHg |
| Flash Point: | 276.8 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 88.04000 |
| LogP: | 1.99436 |
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Specification
The IUPAC name of 1,4-Dihydroxy-2,3-naphthalenedicarbonitrile is 1,4-dihydroxynaphthalene-2,3-dicarbonitrile. With the CAS registry number 1018-79-7, it is also named as 2,3-Naphthalenedicarbonitrile,1,4-dihydroxy-. The product should be stored in dark, sealed, ventilated and dry place at ambient temperature. In addition, its molecular formula is C12H6N2O2 and molecular weight is 210.19.
The other characteristics of this product can be summarized as: (1)Freely Rotating Bonds: 2; (2)XLogP3-AA: 3; (3)H-Bond Donor: 2; (4)H-Bond Acceptor: 4; (5)Rotatable Bond Count: 0; (6)Tautomer Count: 3; (7)Exact Mass: 210.042927; (8)MonoIsotopic Mass: 210.042927; (9)Heavy Atom Count: 16; (10)Complexity: 328; (11)Polar Surface Area: 66.04 Å2; (12)Index of Refraction: 1.752; (13)Molar Refractivity: 56.5 cm3; (14)Molar Volume: 138.3 cm3; (15)Polarizability: 22.39×10-24cm3; (16)Surface Tension: 98.7 dyne/cm; (17)Density: 1.51 g/cm3; (18)Flash Point: 276.8 °C; (19)Melting point: >300 °C; (20)Enthalpy of Vaporization: 84.05 kJ/mol; (21)Boiling Point: 534 °C at 760 mmHg; (22)Vapour Pressure: 5.1E-12 mmHg at 25 °C.
Preparation of 1,4-Dihydroxy-2,3-naphthalenedicarbonitrile: this chemical can be prepared by 2,3-Dichloro-[1,4]naphthoquinone.
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This reaction needs KCN. The yield is 62 %.
Uses of 1,4-Dihydroxy-2,3-naphthalenedicarbonitrile: it can react with Diazomethane to get 1,4-Dimethoxynaphthalene-2,3-dicarbonitrile.
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This reaction needs Diethyl ether. The reaction time is 0.5 hour. The yield is 80 %.
When you are using this chemical, please be cautious about it as the following: 1,4-Dihydroxy-2,3-naphthalenedicarbonitrile is irritating to eyes, respiratory system and skin. Please wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
People can use the following data to convert to the molecule structure.
(1)SMILES:N#Cc2c(O)c1ccccc1c(O)c2C#N
(2)InChI:InChI=1/C12H6N2O2/c13-5-9-10(6-14)12(16)8-4-2-1-3-7(8)11(9)15/h1-4,15-16H
(3)InChIKey:JJBQXTABLSZHGC-UHFFFAOYAA
(4)Std. InChI:InChI=1S/C12H6N2O2/c13-5-9-10(6-14)12(16)8-4-2-1-3-7(8)11(9)15/h1-4,15-16H
(5)Std. InChIKey:JJBQXTABLSZHGC-UHFFFAOYSA-N