2-Bromo-1-fluoro-4-nitrobenzene

HCID 69699CAS 701-45-1
Substructure searchFind similar structures

Basic information

Standard SMILES
O=[N+]([O-])c1ccc(F)c(Br)c1
InChIKey
FAWMTDSAMOCUAR-UHFFFAOYSA-N
Molecular formula
C6H3BrFNO2
Average molar mass
220 g/mol
Monoisotopic mass
218.93311866

Names & identifiers

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

Names & synonyms

701-45-12-Bromo-1-fluoro-4-nitrobenzeneEINECS 211-855-6DTXSID30220375RefChem:85624DTXCID30142866211-855-63-Bromo-4-fluoronitrobenzene1-bromo-2-fluoro-5-nitrobenzene3-bromo-4-fluoro-1-nitrobenzene2-bromo-1-fluoro-4-nitro-benzeneMFCD00055433
Show more names
Benzene, 2-broMo2-Bromo-4-nitrofluorobenzene2-FLUORO-5-NITROBROMOBENZENE1-Fluoro-2-bromo-4-nitrobenzene3-BROMO-4-FLUORONITROBENZENE, 98+%2-Bromo-1-fluoro-4-nitrobenzene 95%
Benzene, 2-bromo-1-fluoro-4-nitro-3-bromo-4-fluoronitrobezeneAKOS005071017BP-13103EN300-915123-bromo-4-fluoro-nitF6Q7EY57QW4-fluoro-3-bromonitrobenzene

Database identifiers

CAS
701-45-1
PubChem CID
69699
DTXSID
DTXSID30220375
UNII
F6Q7EY57QW
EC Number
211-855-6
Nikkaji
J193.064H

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
55 °C · 55°C
Boiling point
250.6 · 250.6±20.0 °C(Predicted)
Density
1.808 · 1.808±0.06 g/cm3(Predicted)
Flash point
105 ° · 105°
storage temp.
Sealed in dry,Room Temperature
form
Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (92.9%)

Safety data

wgk
WGK 3
hs_code
29049090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi,Xn
hazard_class
IRRITANT

Chemistry & industry

Applications

UsesReatant in the synthesis of N-fused tricyclic indoles, dimethyamine, benzofuran.

Upstream & downstream products

Suppliers50 total

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]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

82 records
New reaction record

Linked notes

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