2-Fluoro-4-nitroaniline

HCID 101254

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Basic information

CAS: 369-35-7
Standard SMILES: Nc1ccc([N+](=O)[O-])cc1F
InChIKey: LETNCFZQCNCACQ-UHFFFAOYSA-N
Molecular formula: C6H5FN2O2
Average molar mass: 156.11 g/mol
Monoisotopic mass: 156.03350562

Names & identifiers

Preferred name: 2-Fluoro-4-nitroaniline
IUPAC: 2-fluoro-4-nitroaniline
English name: 2-Fluoro-4-nitroaniline
Molecular formula: C6H5FN2O2
Molecular weight: 156.11

Names & synonyms

2-Fluoro-4-nitroanilineEINECS 206-719-8DTXSID10190380NSC 402982RefChem:472395DTXCID20112871206-719-8369-35-72-fluoro-4-nitrobenzenamineMFCD00034560Benzenamine, 2-fluoro-4-nitro-2-fluoro-4-nitrophenylamine

Show more names

2-Fluoro-4-nitroanil2-Fluor-4-nitroanilin2-FLUORO-4-NITROANILNE2-Fluoro-4-niroaniline2-Fluoro-4-nitroaninline2-Fluoro-4-nitroaniline>2-Fluoro-4-nitroaniline 95%

NSC-4029822-fluoro-4-nitro-aniline2-fluoro-4-nitro-phenylamineNSC4029824-Nitro-2-fluoroaniline8F5CX67PNQAniline, 2-fluoro-4-nitro-SCHEMBL307768

Database identifiers

CAS: 369-35-7
PubChem CID: 101254
DTXSID: DTXSID10190380
UNII: 8F5CX67PNQ
EC Number: 206-719-8
Nikkaji: J213.558B

Properties

Computed structural properties

XLogP: 1.3
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: 122 · 122-130 °C
Boiling point: 317.2 · 317.2±22.0 °C(Predicted)
Density: 1.448 · 1.448±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: powder to crystal
pka: -0.45 · -0.45±0.10(Predicted)
color: Light orange to Yellow to Green
Water Solubility: Slightly soluble in water.
InChI: InChI=1S/C6H5FN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2
InChIKey: LETNCFZQCNCACQ-UHFFFAOYSA-N
SMILES: C1(N)=CC=C([N+]([O-])=O)C=C1F
CAS DataBase Reference: 369 · 369-35-7(CAS DataBase Reference)
FDA UNII: 8 F5CX67PNQ · 8F5CX67PNQ
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332
Precautionary statements: 261 · P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,Xn
Risk Statements: 20 · 20/21/22
Safety Statements: 36 · 36/37
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: IRRITANT, IRRITANT-HARMFUL
HS Code: 29214200 · 29214200
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 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 (97.6%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29214200
risk_code: 20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 36/37
hazard_class: IRRITANT, IRRITANT-HARMFUL
Storage Class: 11 - Combustible Solids
Hazard statements: H302+H312+H332
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
Precautionary statements: P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312