2-Fluoro-6-nitroaniline

HCID 87316

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Basic information

CAS: 17809-36-8
Standard SMILES: Nc1c(F)cccc1[N+](=O)[O-]
InChIKey: BHWHYGWMNMCXBA-UHFFFAOYSA-N
Molecular formula: C6H5FN2O2
Average molar mass: 156.11 g/mol
Monoisotopic mass: 156.03350562

Names & identifiers

Preferred name: 2-Fluoro-6-nitroaniline
IUPAC: 2-fluoro-6-nitroaniline
English name: 2-Fluoro-6-nitro-phenylamine
Molecular formula: C6H5FN2O2
Molecular weight: 156.11

Names & synonyms

2-Fluoro-6-nitroanilineBenzenamine, 2-fluoro-6-nitro-6-Fluoro-2-nitroanilineEINECS 241-779-9E347K77NR42-FLUORO-6-NITROBENZENAMINEDTXSID90170423RefChem:87122DTXCID4092914241-779-917809-36-82-Fluoro-6-nitro-phenylamine

Show more names

2-Nitro-6-fluoroaniline2-Fluoro-6-nitroaniline98%2-Fluoro-6-nitroaniline 98%6-AMino-2-Fluoronitrobenzene2-Amino-3-fluoronitrobenzene2-FLUORO-6-NITRO-PHENYLAMINE ISO 9001：2015 REACH

2-fluoro-6-nitro-anilineMFCD04112583SCHEMBL602059CS-D0998AKOS006228827AKOS015967507AS-8393SY002839

Database identifiers

CAS: 17809-36-8
PubChem CID: 87316
DTXSID: DTXSID90170423
UNII: E347K77NR4
EC Number: 241-779-9
Nikkaji: J287.158K

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 71.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 159

Physicochemical properties

Melting point: 74 · 74-75
Boiling point: 271.5 · 271.5±20.0 °C(Predicted)
Density: 1.448 · 1.448±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: solid
pka: -1.76 · -1.76±0.25(Predicted)
color: Yellow/orange
InChI: InChI=1S/C6H5FN2O2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H,8H2
InChIKey: BHWHYGWMNMCXBA-UHFFFAOYSA-N
SMILES: C1(N)=C([N+]([O-])=O)C=CC=C1F
CAS DataBase Reference: 17809 · 17809-36-8(CAS DataBase Reference)
FDA UNII: 347 K77NR4 · E347K77NR4
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 280 · P280-P305+P351+P338-P310
Hazard Codes: Xi
Hazard Note: Irritant
HS Code: 29214990 · 29214990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 29214990
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
Hazard statements: H302-H315-H319-H332-H335
Precautionary statements: P280-P305+P351+P338-P310

Chemistry & industry

Applications

Uses2-Fluoro-6-nitro-phenylamine is mainly used as a pharmaceutical intermediate for the synthesis of specific drug molecules, such as anti-tumor drugs, antibacterial agents, etc.