CAS 886762-70-5 1-Bromo-3-fluoro-2-nitrobenzene (HCID 2783152)

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Basic information

CAS: 886762-70-5
Standard SMILES: O=[N+]([O-])c1c(F)cccc1Br
InChIKey: VFPAOFBPEYCAAZ-UHFFFAOYSA-N
Molecular formula: C6H3BrFNO2
Average molar mass: 220 g/mol
Monoisotopic mass: 218.93312

Names & identifiers

Preferred name: 1-Bromo-3-fluoro-2-nitrobenzene
IUPAC: 1-bromo-3-fluoro-2-nitrobenzene
English name: 2-Bromo-6-fluoronitrobenzene
Molecular formula: C6H3BrFNO2
Molecular weight: 220

Names & synonyms

1-bromo-3-fluoro-2-nitrobenzene886762-70-5DTXSID10382465RefChem:75108DTXCID90333490689-316-32-Bromo-6-fluoronitrobenzene2-fluoro-6-bromonitrobenzeneMFCD073687881-bromo-3-fluoro-2-nitro-benzeneSCHEMBL418362MB04477

Show more names

3-bromo-3-fluoro-2-nitrobenzene2-Bromo-6-fluoronitrobenzene 97%1-Bromo-3-fluoro-2-nitrobenzene >1-Bromo-3-fluoro-2-nitrobenzene ISO 9001：2015 REACH

SY022869B4842Benzene, 1-bromo-3-fluoro-2-nitro-BCP11728FT-0647528SCHEMBL29532105CL8951SBB068702

Database identifiers

CAS: 886762-70-5
PubChem CID: 2783152
DTXSID: DTXSID10382465
EC Number: 689-316-3

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 161

Physicochemical properties

Melting point: 36 · 36-37°C
Boiling point: 232 · 232.0±20.0 °C(Predicted)
Density: 1.808 · 1.808±0.06 g/cm3(Predicted)
Flash point: 87 ° · 87°
storage temp.: 2 · 2-8°C
solubility: soluble in Methanol
form: powder to lump
color: White to Orange to Green
InChI: InChI=1S/C6H3BrFNO2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H
InChIKey: VFPAOFBPEYCAAZ-UHFFFAOYSA-N
SMILES: C1(Br)=CC=CC(F)=C1[N+]([O-])=O
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H315-H319-H332
Precautionary statements: 261 · P261-P271-P280
Hazard Codes: Xi

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.