2-Chloro-1-fluoro-3-nitrobenzene

HCID 88883

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Basic information

CAS: 21397-07-9
Standard SMILES: O=[N+]([O-])c1cccc(F)c1Cl
InChIKey: NJZSQTMICFLABM-UHFFFAOYSA-N
Molecular formula: C6H3ClFNO2
Average molar mass: 175.54 g/mol
Monoisotopic mass: 174.98363424

Names & identifiers

Preferred name: 2-Chloro-1-fluoro-3-nitrobenzene
IUPAC: 2-chloro-1-fluoro-3-nitrobenzene
English name: 2-Chloro-3-fluoronitrobenzene
Molecular formula: C6H3ClFNO2
Molecular weight: 175.54

Names & synonyms

2-Chloro-3-fluoronitrobenzene2-Chloro-1-fluoro-3-nitrobenzeneBenzene, 2-chloro-1-fluoro-3-nitro-79J6SA7GHBEINECS 244-365-6DTXSID70175658RefChem:86124DTXCID909814921397-07-91-chloro-2-fluoro-6-nitrobenzene2-chloro-1-fluoro-3-nitro-benzeneMFCD04112549

Show more names

1-Nitro-2-chloro-3-fluorobenzene1-CHLORO-2-FLUORO-6-NITRO-BENZENE2-Chloro-3-fluoronitrobenzene CAS NO.21397-07-92-Chloro-3-fluoronitrobenzene ISO 9001：2015 REACH

fluoro(chloro)nitrobenzene2-chloro-3-fluoro-1-nitrobenzeneUNII-79J6SA7GHBUNII-79J6S2-chloro-1-fluoronitro-benzeneSCHEMBL3724150SCHEMBL30310562SBB063939

Database identifiers

CAS: 21397-07-9
PubChem CID: 88883
DTXSID: DTXSID70175658
UNII: 79J6SA7GHB
EC Number: 244-365-6
Nikkaji: J226.193F

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

Boiling point: 237 · 237-239 °C
Density: 1.494 · 1.494±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: low melting solid
color: Brown
CAS DataBase Reference: 21397 · 21397-07-9(CAS DataBase Reference)
FDA UNII: 79 J6SA7GHB · 79J6SA7GHB
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: T
HS Code: 2904990090 · 2904990090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2904990090
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: T
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses2-Chloro-3-fluoronitrobenzene can be used in substitution reactions to prepare other organic heterocyclic compounds. Its derivatives are also used as raw materials for the synthesis of aromatic polyimides.