CAS 700-36-7 2-Bromo-4-fluoro-1-nitrobenzene (HCID 2756993)

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Basic information

CAS: 700-36-7
Standard SMILES: O=[N+]([O-])c1ccc(F)cc1Br
InChIKey: VGYVBEJDXIPSDL-UHFFFAOYSA-N
Molecular formula: C6H3BrFNO2
Average molar mass: 220 g/mol
Monoisotopic mass: 218.93311866

Names & identifiers

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

Names & synonyms

2-Bromo-4-fluoro-1-nitrobenzene700-36-7DTXSID60373681RefChem:85721DTXCID00324713670-950-42-bromo-4-fluoronitrobenzene1-Bromo-5-fluoro-2-nitrobenzeneBenzene, 2-bromo-4-fluoro-1-nitro-4-fluoro-2-bromonitrobenzeneMFCD007924412-bromo-4-fluoro-1-nitro-benzene

Show more names

2-Bromo-4-fluoronitrobenzene,>98%2-BroMo-4-fluoronitrobenzene, 97+%2-Bromo-4-fluoro-1-nitrobenzene >2-bromine-4-fluorine-1-Nitrobenzene2-Bromo-4-fluoronitrobenzene ISO 9001：2015 REACH

GS-44393-bromo-1-fluoro-4-nitrobenzeneA836745SCHEMBL40024SCHEMBL27692743SCHEMBL294491841-bromo 5-fluoro 2-nitrobenzeneCS-D1760

Database identifiers

CAS: 700-36-7
PubChem CID: 2756993
DTXSID: DTXSID60373681
EC Number: 670-950-4
Nikkaji: J2.650.590I

Properties

Computed structural properties

XLogP: 2.4
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: 44 °C · 44 °C
Boiling point: 70 · 70-75 °C(Press: 0.4 Torr)
Density: 1.808 · 1.808±0.06 g/cm3(Predicted)
refractive index: 1.57 · 1.57
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: Solid
color: Pale yellow to green
InChI: InChI=1S/C6H3BrFNO2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H
InChIKey: VGYVBEJDXIPSDL-UHFFFAOYSA-N
SMILES: C1([N+]([O-])=O)=CC=C(F)C=C1Br
CAS DataBase Reference: 700 · 700-36-7
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H335-H315-H319
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (83.3%): 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 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (83.3%)

Safety data

hs_code: 29049090
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Hazard statements: H302-H335-H315-H319
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313