2,6-Dibromonaphthalene

HCID 640591

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Basic information

CAS: 13720-06-4
Standard SMILES: Brc1ccc2cc(Br)ccc2c1
InChIKey: PJZDEYKZSZWFPX-UHFFFAOYSA-N
Molecular formula: C10H6Br2
Average molar mass: 285.96 g/mol
Monoisotopic mass: 283.88362439

Names & identifiers

Preferred name: 2,6-Dibromonaphthalene
IUPAC: 2,6-dibromonaphthalene
English name: 2,6-Dibromonaphthalene
Molecular formula: C10H6Br2
Molecular weight: 285.96

Names & synonyms

2,6-dibromonaphthalene13720-06-4naphthalene, 2,6-dibromo-DTXSID90348766RefChem:83147DTXCID20299838803-009-5InChI=1/C10H6Br2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1-6MFCD010264622,6-dibromo naphthalene2,6-Dibromo-Naphthalene2,6-Dibromnaphthalin

Show more names

DibroMonaphthalene2,6-DibromonaphthaL2,6-dibroMophthalene2,6-Dibromonaphthalene>2,6-Dibromonaphthalene 99%2,6-DIBROMONAPHTHALENE, 98.5%2,6-Dibromonaphthalene in isooctane

2,6-dibromonapthalene2.6-dibromonaphthalene2,6-?DibromonaphthaleneSCHEMBL1921662,6-Dibromonaphthalene, 97%SCHEMBL11359053SCHEMBL29353067AKOS003632520

Database identifiers

CAS: 13720-06-4
PubChem CID: 640591
DTXSID: DTXSID90348766
EC Number: 803-009-5
Nikkaji: J32.569D

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 140

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point: 163 · 163-166°C
Boiling point: 339.1 · 339.1±15.0 °C(Predicted)
Density: 1.834 · 1.834±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
color: White to Gray to Brown
Water Solubility: Insoluble in water.
InChI: InChI=1S/C10H6Br2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1-6H
InChIKey: PJZDEYKZSZWFPX-UHFFFAOYSA-N
SMILES: C1=C2C(C=C(Br)C=C2)=CC=C1Br
CAS DataBase Reference: 13720 · 13720-06-4(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07,GHS09
Signal word: Danger
Hazard statements: 315 · H315-H318-H335-H411
Precautionary statements: 273 · P273-P280-P302+P352-P305+P351+P338+P310
target organs: Respiratory system
Hazard Codes: Xi,N
Risk Statements: 37 · 37/38-41-51/53
Safety Statements: 22 · 22-24/25-61-39-26
RIDADR: 3077 · UN 3077 9 / PGIII
WGK Germany: 3 · 3
HS Code: 29039990 · 29039990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Eye · Aquatic Chronic 2Eye Dam. 1Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
ridadr: UN 3077 9 / PGIII
hs_code: 29039990
risk_code: 37/38-41-51/53
Signal word: Danger
Symbol(GHS): GHS05,GHS07,GHS09
hazard_code: Xi,N
safety_code: 22-24/25-61-39-26
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H318-H335-H411
Hazard Classifications: Aquatic Chronic 2Eye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P273-P280-P302+P352-P305+P351+P338+P310

Chemistry & industry

Applications

Description2,6-Dibromonaphthalene is an important material intermediate compound used as building blocks to construct small semiconductor molecules or polymers in organic photovoltaic, OLED and OFET devices.

Uses2,6-Dibromonaphthalene is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals. It reacts with hexylmagnesium bromide to form 2,6-Dihexyl-naphthalene.