1-Bromo-2,4-difluorobenzene

HCID 67674
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Substructure searchFind similar structures

Basic information

CAS
348-57-2
Standard SMILES
Fc1ccc(Br)c(F)c1
InChIKey
MGHBDQZXPCTTIH-UHFFFAOYSA-N
Molecular formula
C6H3BrF2
Average molar mass
192.99 g/mol
Monoisotopic mass
191.93861864

Names & identifiers

Preferred name
1-Bromo-2,4-difluorobenzene
IUPAC
1-bromo-2,4-difluorobenzene
English name
1-Bromo-2,4-difluorobenzene
Molecular formula
C6H3BrF2
Molecular weight
192.99

Names & synonyms

1-Bromo-2,4-difluorobenzene348-57-2Benzene, 1-bromo-2,4-difluoro-EINECS 206-479-4DTXSID40188336EC 206-479-4RefChem:430182DTXCID70110827206-479-42,4-Difluorobromobenzene1-Bromo-2,4-difluoro-benzeneMFCD00000330
Show more names
CL1972,4-Difluoro1-Bromo-2,4-difL1-Bromo-2,4-difluoro2,4-difluorobromobezene4-(Trifluoromethylthio)1-Brom-2,4-difluorbenzol2,4-Difluorophenyl bromide
BROMO-2,4-DIFLUOROBENZENE2,4-Difluoro-1-bromobenzene2,4-Difluoro-1-bromobenzene; 2,4-Difluorobromobenzene; 2,4-Difluorophenyl Bromide; 3-Bromo-2,6-difluorobenzene; 4-Bromo-1,3-difluorobenzene2,4-difluoro-bromobenzene2,4-Difluoro bromo benzene1-bromo-2,4-diflurobenzeneSCHEMBL144133-bromo-2,6-difluorobenzene

Database identifiers

CAS
348-57-2
PubChem CID
67674
DTXSID
DTXSID40188336
EC Number
206-479-4
Nikkaji
J149.969F

Properties

Computed structural properties

XLogP
3
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
9

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Monoaromatics
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
-4 °C · -4 °C (lit.)
Boiling point
145 · 145-146 °C (lit.)
Density
1.708 g/mL · 1.708 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.505(lit.)
Flash point
125 °F · 125 °F
storage temp.
2 · Sealed in dry,2-8°C

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 0.9% (1 of 113) of reports.

Warning

H226 (95.6%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 113 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 01-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/15945

1-Bromo-2,4-difluorobenzene: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See p-Bromofluorobenzene.
Hazard Classes and CategoriesFlam. Liq. 3 (95.6%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
ridadr
UN 1993 3/PG 3
hs_code
29036990
risk_code
10-36/37/38
Signal word
Warning

Chemistry & industry

Applications · 2 items

Uses1-Bromo-2,4-difluorobenzene has been used in:preparation of (2S)-1-(2,4-difluorophenyl)-2-(1,1-dimethyl-1-sila-ethoxy)-propan-1-oneenantiomeric preparation of the key intermediate of chiral azole antifungal agents by a chemoenzymatic process

General Description1-Bromo-2,4-difluorobenzene undergoes lithiation exclusively at the position having two adjacent halogen substituents, to yield 6-bromo-2,3-difluorobenzoic acid.

Upstream & downstream products

Suppliers100 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]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

130 records
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Compound notes

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