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1,4-Dibromonaphthalene

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Name

1,4-Dibromonaphthalene

EINECS 201-484-8
CAS No. 83-53-4 Density 1.834 g/cm3
PSA 0.00000 LogP 4.36480
Solubility 347.9ug/L(25 oC) Melting Point 80-82 °C
Formula C10H6Br2 Boiling Point 334.7 °C at 760 mmHg
Molecular Weight 285.966 Flash Point 181.4 °C
Transport Information N/A Appearance Light orange-beige fine crystalline powder
Safety 24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 83-53-4 (1,4-Dibromonaphthalene) Hazard Symbols IrritantXi
Synonyms

1,4-DIBROMONAPHTHALENE;1,4-DIBROMONAPTHALENE;1,4-dibromo-naphthalen;1,

Article Data 46

1,4-Dibromonaphthalene 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.



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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