CAS 1978-39-8 5-Fluoro-2-methoxyaniline (HCID 223105)

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Basic information

CAS: 1978-39-8
Standard SMILES: COc1ccc(F)cc1N
InChIKey: VYZUBHRSGQAROM-UHFFFAOYSA-N
Molecular formula: C7H8FNO
Average molar mass: 141.14 g/mol
Monoisotopic mass: 141.0589921

Names & identifiers

Preferred name: 5-Fluoro-2-methoxyaniline
IUPAC: 5-fluoro-2-methoxyaniline
English name: 5-Fluoro-2-methoxyaniline
Molecular formula: C7H8FNO
Molecular weight: 141.14

Names & synonyms

5-Fluoro-2-methoxyanilineDTXSID502788532-fluoro-N-methylbenzenamineRefChem:535812DTXCID20230009625-506-41978-39-82-Amino-4-fluoroanisole5-Fluoro-2-methoxyphenylamineBenzenamine, 5-fluoro-2-methoxy-5-Fluoro-o-anisidineMFCD00077537

Show more names

5-Fluoro-o-anisidine (NH2=1)5-Fluoro-2-methoxyaniline 97%5-Fluoro-2-methoxyaniline, JRDBenzenaMine,5-fluoro-2-Methoxy-2-Amino-4-fluoroanisole, 5-Fluoro-o-anisidine

5-fluoro-2-methoxy-aniline3-FLUORO-6-METHOXYANILINE5-Fluoro-2-methoxyaniline, 97%5-Fluoro-2-methoxybenzenamine2-Amino-4-fluoro-1-methoxybenzeneNSC103414-fluoro-2-aminoanisole2-methoxy-5-fluoroaniline

Database identifiers

CAS: 1978-39-8
PubChem CID: 223105
DTXSID: DTXSID50278853
EC Number: 625-506-4

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: 3 °C · 3 °C
Boiling point: 90 °C/760 · 90 °C/760 mmHg
Density: 1.1981 g/mL · 1.1981 g/mL at 25 °C
refractive index: 20 · n20/D 1.5438
Flash point: 109 °C · 109 °C
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: clear liquid
pka: 3.52 · 3.52±0.10(Predicted)
color: Colorless to Light yellow to Light orange
InChI: 1S/C7H8FNO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H3
InChIKey: VYZUBHRSGQAROM-UHFFFAOYSA-N
SMILES: COc1ccc(F)cc1N
CAS DataBase Reference: 1978 · 1978-39-8
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07,GHS06,GHS08
Signal word: Warning

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (15.2%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, 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 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.