CAS 1978-38-7 2-Fluoro-N-methylaniline (HCID 2759010)

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Basic information

CAS: 1978-38-7
Standard SMILES: CNc1ccccc1F
InChIKey: LDVAIJZDACHGML-UHFFFAOYSA-N
Molecular formula: C7H8FN
Average molar mass: 125.14 g/mol
Monoisotopic mass: 125.06407748

Names & identifiers

Preferred name: 2-Fluoro-N-methylaniline
IUPAC: 2-fluoro-N-methylaniline
English name: 2-Fluoro-N-methylaniline
Molecular formula: C7H8FN
Molecular weight: 125.14

Names & synonyms

2-Fluoro-N-methylaniline1978-38-7DTXSID30374600RefChem:472602DTXCID10325630672-677-6n-methyl-2-fluoroanilineBenzenamine, 2-fluoro-N-methyl-2-fluoro-N-methyl-anilinen-(2-fluorophenyl)-n-methylamineMFCD00028030(2-fluoro-phenyl)-methyl-amine

Show more names

uoro-N-methyL2-Fluoro-N-methylani2-Fluoro-N-methylanineo-Fluoro-N-MethylanilineN-Methyl-o-fluoroaniline2-Fluoro-N-methylaniline>2-FLUORO-N-METHYLANILINE 98%2-Fluoro-N-MethylbenzenaMine

AKOS000259941CS-W013511AC-13791EN300-59274F11218Z335276746o-Fluoro-N-methylaniline; 2-Fluoro-N-methylbenzenamine; N-(2-Fluorophenyl)methylamine; N-Methyl-2-fluoroaniline; N-Methyl-o-fluoroaniline;AM20030278

Database identifiers

CAS: 1978-38-7
PubChem CID: 2759010
DTXSID: DTXSID30374600
EC Number: 672-677-6
Nikkaji: J2.329.602K

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 85

Physicochemical properties

Boiling point: 87 · 87-88°C/20mm
Density: 1.1 g/ml · 1.1g/ml
refractive index: 1.534 · 1.5340-1.5390
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: clear liquid
pka: 3.65 · 3.65±0.10(Predicted)
color: Colorless to Light yellow
InChI: InChI=1S/C7H8FN/c1-9-7-5-3-2-4-6(7)8/h2-5,9H,1H3
InChIKey: LDVAIJZDACHGML-UHFFFAOYSA-N
SMILES: C1(NC)=CC=CC=C1F
CAS DataBase Reference: 1978 · 1978-38-7(CAS DataBase Reference)
UNSPSC Code: 12352116 · 12352116
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H227 (25%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 4 (25%)

Safety data

hs_code: 29215900
risk_code: 36/37/38-25
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: T
safety_code: 26-36/37/39-45-24/25
Hazard statements: H227-H315-H319
Precautionary statements: P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501

Chemistry & industry

Applications

Uses2-Fluoro-N-methylaniline is an aniline derivative used in the preparation of various pharmaceutical compounds such as muscarinic agonists.

Preparation methods

PreparationUsing 2-fluoroaniline as a raw material, a diazotization reaction followed by a high-temperature reaction with an aqueous solution of methylamine can yield 2-Fluoro-N-methylaniline in high yield and with high selectivity.