4-Bromo-1-fluoro-2-nitrobenzene

HCID 2736328CAS 364-73-8
Substructure searchFind similar structures

Basic information

Standard SMILES
O=[N+]([O-])c1cc(Br)ccc1F
InChIKey
UQEANKGXXSENNF-UHFFFAOYSA-N
Molecular formula
C6H3BrFNO2
Average molar mass
220 g/mol
Monoisotopic mass
218.93311866

Names & identifiers

Preferred name
4-Bromo-1-fluoro-2-nitrobenzene
IUPAC
4-bromo-1-fluoro-2-nitrobenzene
English name
4-Bromo-1-fluoro-2-nitrobenzene
Molecular formula
C6H3BrFNO2
Molecular weight
220

Names & synonyms

4-Bromo-1-fluoro-2-nitrobenzene364-73-8DTXSID40371281RefChem:290488DTXCID00322315639-340-55-Bromo-2-fluoronitrobenzene1-Bromo-4-fluoro-3-nitrobenzene2-fluoro-5-BromonitrobenzeneMFCD001291654-Bromo-1-fluoro-2-nitro-benzene5-bromo-2-fluronitrobenzene
Show more names
5-Bromo-2-fL4-Bromo-1-fluoro-2-n4-Bromo-2-nitrofluorobenzene5-Bromo-2-fluoronitrobenzene98%5-Bromo-2-fluoronitrobenzene 98%Benzene, 4-bromo-1-fluoro-2-nitro-
2-nitro 4-bromo fluorobenzene3-nitro-4-fluoro-bromobenzene4-bromo-1-fluoro -2-nitrobenzeneGS-30054-Bromo-1-fluoro-2-nitrobenzene, 96%4-bromo-1-fluoro-2-nitrobenzen1-Bromo-4-fluoro5-bromo-fluoronitrobenzene

Database identifiers

CAS
364-73-8
PubChem CID
2736328
DTXSID
DTXSID40371281
EC Number
639-340-5
Nikkaji
J1.802.833F

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
45.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
11

Physicochemical properties

Melting point
18 · 18-19 °C (lit.)
Boiling point
240 · 240-241 °C (lit.)
Density
1.786 g/mL · 1.786 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.575(lit.)
Flash point
230 °F · >230 °F
storage temp.
Inert atmosphere,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (72.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 11 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (72.7%)

Safety data

PPE
Eyeshields, Gloves
wgk
3
ridadr
2810
hs_code
29049090
risk_code
36/37/38-20/21/22
Signal word
Warning

Chemistry & industry

Applications · 3 items

UsesUsed in the synthesis of anti-inflammatory agents.1

Uses4-Bromo-1-fluoro-2-nitrobenzene is used in the synthesis of anti-inflammatory agents.

General Description4-Bromo-1-fluoro-2-nitrobenzene undergoes Sonogashira reaction with 2-fluoronitrobenzene to afford predominantly the bromo displacement product.

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]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

Related reactions

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Linked notes

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