1-Bromo-2,4-dichlorobenzene

HCID 70947CAS 1193-72-2
Substructure searchFind similar structures

Basic information

Standard SMILES
Clc1ccc(Br)c(Cl)c1
InChIKey
ISHYFWKKWKXXPL-UHFFFAOYSA-N
Molecular formula
C6H3BrCl2
Average molar mass
225.89 g/mol
Monoisotopic mass
223.87951756

Names & identifiers

Preferred name
1-Bromo-2,4-dichlorobenzene
IUPAC
1-bromo-2,4-dichlorobenzene
English name
1-Bromo-2,4-dichlorobenzene
Molecular formula
C6H3BrCl2
Molecular weight
225.9

Names & synonyms

1-Bromo-2,4-dichlorobenzene1193-72-2EINECS 214-778-6ISHYFWKKWKXXPL-UHFFFAOYSA-DTXSID10152408NSC 158360RefChem:75040DTXCID0074899214-778-6InChI=1/C6H3BrCl2/c7-5-2-1-4(8)3-6(5)9/h1-3HISHYFWKKWKXXPL-UHFFFAOYSA-N2,4-dichlorobromobenzene
Show more names
1-Bromo-2,4-dichiorobenzeneBROMO(2-)-4-DICHLOROBENZENE1-Bromo-2,4-dichlorobenzene >1-Bromo-2,4-dichlorobenzene,99%1-Bromo-2,4-dichlorobenzene, 98+%1-BroMo-2,4-dichiorobenzene, 98%, 98%
Benzene, 1-bromo-2,4-dichloro-MFCD000183331-bromo-2,4-dichloro-benzene2,4-dichloro-1-bromobenzene4-Bromo-1,3-dichlorobenzeneNSC-158360PB47597B2187

Database identifiers

CAS
1193-72-2
PubChem CID
70947
DTXSID
DTXSID10152408
UNII
2Z4G4Z84UU
EC Number
214-778-6
Nikkaji
J31.738A

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
9

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point
26 · 26-30 °C(lit.)
Boiling point
235 °C · 235°C
Density
1 · 1,89 g/cm3
refractive index
1.57 · 1.5700 (estimate)
Flash point
230 °F · >230 °F
storage temp.
Keep in dark place,Inert atmosphere,Room temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 06-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/28291
Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)

Safety data

wgk
3
ridadr
UN 2810 6.1/PG 1
hs_code
29039990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 2 items

Uses1-Bromo-2,4-dichlorobenzene is used to produce 2,4,4'-trichloro-biphenyl. This reaction will need aq. Na2CO3 and solvents dioxane, ethanol. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.

General Description1-Bromo-2,4-dichlorobenzene is an aryl halide. It can be distinguished from the other bromodichlorobenzene isomers using IR and Raman spectral data. It can undergo Suzuki–Miyaura cross-coupling reaction with arylboronic acids in the presence of different Suzuki catalysts.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Related reactions

23 records
New reaction record

Linked notes

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