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| CAS No.: | 83-53-4 |
|---|---|
| Name: | 1,4-Dibromonaphthalene |
| Article Data: | 46 |
| Molecular Structure: | |
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| Formula: | C10H6Br2 |
| Molecular Weight: | 285.966 |
| Synonyms: | 1,4-DIBROMONAPHTHALENE;1,4-DIBROMONAPTHALENE;1,4-dibromo-naphthalen;1, |
| EINECS: | 201-484-8 |
| Density: | 1.834 g/cm3 |
| Melting Point: | 80-82 °C |
| Boiling Point: | 334.7 °C at 760 mmHg |
| Flash Point: | 181.4 °C |
| Solubility: | 347.9ug/L(25 oC) |
| Appearance: | Light orange-beige fine crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 24/25 |
| PSA: | 0.00000 |
| LogP: | 4.36480 |
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Specification
The IUPAC name of 1,4-Dibromonaphthalene is 1,4-dibromonaphthalene. With the CAS registry number 83-53-4, it is also named as Naphthalene, 1,4-dibromo-. The product's category is Electronic Chemicals. Besides, it is light orange-beige fine crystalline powder. In addition, this chemical is irritating to eyes, respiratory system and skin. You should avoid contact with skin and eyes when use it.
The other characteristics of this product can be summarized as: (1)EINECS: 201-484-8; (2)ACD/LogP: 5.02; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): 5.02; (5)ACD/LogD (pH 7.4): 5.02; (6)ACD/BCF (pH 5.5): 3845.93; (7)ACD/BCF (pH 7.4): 3845.93; (8)ACD/KOC (pH 5.5): 12815.56; (9)ACD/KOC (pH 7.4): 12815.56; (10)H bond acceptors: 0; (11)H bond donors: 0; (12)Freely Rotating Bonds: 0; (13)Index of Refraction: 1.688; (14)Molar Refractivity: 59.47 cm3; (15)Molar Volume: 155.9 cm3; (16)Surface Tension: 48.7 dyne/cm; (17)Density: 1.834 g/cm3; (18)Flash Point: 181.4 °C; (19)Melting Point: 80-82 °C; (20)Enthalpy of Vaporization: 55.48 kJ/mol; (21)Boiling Point: 334.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000244 mmHg at 25 °C.
Preparation of 1,4-Dibromonaphthalene: this chemical can be prepared by 1-Bromo-naphthalene and 1,5-Dibromo-naphthalene.
This reaction needs Br2 and CH2Cl2 at temperature of -30 °C. The reaction time is 2 days. The yield is 90 %.
Uses of 1,4-Dibromonaphthalene: it can react with Oxirane to get 1-(2-Hydroxyethyl)-4-bromonaphthalene.
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This reaction needs n-Butyllithium. The yield is 70 %.
People can use the following data to convert to the molecule structure.
(1)SMILES:Brc2c1ccccc1c(Br)cc2
(2)InChI:InChI=1/C10H6Br2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
(3)InChIKey:IBGUDZMIAZLJNY-UHFFFAOYAE
(4)Std. InChI:InChI=1S/C10H6Br2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
(5)Std. InChIKey:IBGUDZMIAZLJNY-UHFFFAOYSA-N
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