2-Fluoro-6-methoxyaniline

HCID 459253CAS 446-61-7

Substructure search Find similar structures

Basic information

Standard SMILES: COc1cccc(F)c1N
InChIKey: VHHKZASLPJMWJI-UHFFFAOYSA-N
Molecular formula: C7H8FNO
Average molar mass: 141.14 g/mol
Monoisotopic mass: 141.0589921

Names & identifiers

Preferred name: 2-Fluoro-6-methoxyaniline
IUPAC: 2-fluoro-6-methoxyaniline
English name: 2-FLUORO-6-METHOXYANILINE
Molecular formula: C7H8FNO
Molecular weight: 141.14

Names & synonyms

2-fluoro-6-methoxyaniline446-61-7DTXSID90332620RefChem:261032DTXCID80283713806-627-32-fluoro-6-methoxy-anilineMFCD03788538AKOS009157644CS-W005604AC-3683PB48293

Show more names

-FLUORO-6-METHOXYANILINE2-fluoro-6-methoxybenzenamine2-Fluoro-6-methoxy-phenylamineBenzenamine, 2-fluoro-6-methoxy-2-Amino-3-fluoroanisole, 6-Fluoro-o-anisidine2-AMino-3-fluoroanisole[2-Fluoro-6-Methoxyaniline]

PS-9018SY017709C90671EN300-105153Z4513921602-Amino-3-fluoroanisole2-Amino-3-fluAM61550

Database identifiers

CAS: 446-61-7
PubChem CID: 459253
DTXSID: DTXSID90332620
EC Number: 806-627-3

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 110

Physicochemical properties

Boiling point: 208 °C · 208 °C(Press: 756 Torr)
Density: 1.176 · 1.176±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 3.15 · 3.15±0.10(Predicted)
form: slightly viscous liquid
color: Clear, peach/khaki
InChI: InChI=1S/C7H8FNO/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,9H2,1H3
InChIKey: VHHKZASLPJMWJI-UHFFFAOYSA-N
SMILES: C1(N)=C(OC)C=CC=C1F
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22
Hazard Note: Irritant
HS Code: 2922290090 · 2922290090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.