CAS 437-83-2 3-Fluoro-2-methoxyaniline (HCID 581109)

Substructure search Find similar structures

Basic information

CAS: 437-83-2
Standard SMILES: COc1c(N)cccc1F
InChIKey: RCYMPYMITUEHOJ-UHFFFAOYSA-N
Molecular formula: C7H8FNO
Average molar mass: 141.14 g/mol
Monoisotopic mass: 141.0589921

Names & identifiers

Preferred name: 3-Fluoro-2-methoxyaniline
IUPAC: 3-fluoro-2-methoxyaniline
English name: 3-Fluoro-2-methoxyaniline
Molecular formula: C7H8FNO
Molecular weight: 141.14

Names & synonyms

3-Fluoro-2-methoxyaniline437-83-2DTXSID70342363RefChem:501630DTXCID30293443640-299-03-Fluoro-o-anisidine3-Fluoro-2-methoxy-phenylamineBENZENAMINE, 3-FLUORO-2-METHOXY-3-fluoro-2-methoxyphenylamineMFCD000077592-methoxy-3-fluoroaniline

Show more names

3-Fluoro-2-methoxyan3-Fluoro-2-Methoxyailine3-Fuloro-2-methoxyaniline3-Fluoro-2-methoxyaniline 99%3-Fluoro-2-methoxyaniline, JRD

3-FLUORO-2-METHOXYBENZENENAMINE3-Fluoro-2-methoxyaniline #3-fluoro-2-methoxybenzenamineSCHEMBL1128373-Fluoro-2-methoxyaniline, 99%CS-W007841MB00204PS-9020

Database identifiers

CAS: 437-83-2
PubChem CID: 581109
DTXSID: DTXSID70342363
EC Number: 640-299-0
Nikkaji: J364.589D

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

Melting point: 162 °C · 162 °C
Boiling point: 117 · 117-121 °C(lit.)
Density: 0.823 g/mL · 0.823 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.446(lit.)
Flash point: 80 °C · 80 °C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: liquid
pka: 3.52 · 3.52±0.10(Predicted)
Appearance: Colorless to light brown Liquid
InChI: 1S/C7H8FNO/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,9H2,1H3
InChIKey: RCYMPYMITUEHOJ-UHFFFAOYSA-N
SMILES: COc1c(N)cccc1F
CAS DataBase Reference: 437 · 437-83-2(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (97.8%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (97.8%)

Safety data

wgk: 3
ridadr: UN 1993 3/PG 1
hs_code: 2922290090
risk_code: 11-36/37/38-24/25
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: F,Xi,T
hazard_note: Irritant
safety_code: 16-26-36-45-36/37/39
hazard_class: 3.2
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: III
target organs: Respiratory system
Hazard statements: H301+H311-H315-H319-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)