CAS 93246-53-8 3-Fluoro-4-morpholinoaniline (HCID 1485330)

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Basic information

CAS: 93246-53-8
Standard SMILES: Nc1ccc(N2CCOCC2)c(F)c1
InChIKey: FQGIBHQUVCGEAC-UHFFFAOYSA-N
Molecular formula: C10H13FN2O
Average molar mass: 196.22 g/mol
Monoisotopic mass: 196.10119126

Overview

3-Fluoro-4-morpholinoaniline is a member of morpholines.

Names & identifiers

Preferred name: 3-Fluoro-4-morpholinoaniline
IUPAC: 3-fluoro-4-morpholin-4-ylaniline
English name: 3-FLUORO-4-MORPHOLIN-4-YL-PHENYLAMINE
Molecular formula: C10H13FN2O
Molecular weight: 196.22

Names & synonyms

3-fluoro-4-morpholinoaniline93246-53-83-fluoro-4-(4-morpholinyl)anilineBENZENAMINE, 3-FLUORO-4-(4-MORPHOLINYL)-n-(4-amino-2-fluorophenyl)morpholineS59MCD5UHX3-fluoro-4-(4-morpholinyl)benzenamineDTXSID40363323RefChem:93916DTXCID40314370676-003-13-Fluoro-4-morpholin-4-yl-phenylamine

Show more names

AKOS B033533TIMTEC-BB SBB010944Linezolid Impurity 28Linezolid Intermediate 13-Fluoro-4-morpholinoanili3-Fluoro-4-morpholin-4-yl-

3-Fluoro-4-morpholinylaniline3-fluoro-4-(morpholin-4-yl)aniline3-Fluoro-4-morpholin-aniline3-fluoro-4-morpholin-4-ylaniline3-Fluoro-4-(4-morpholinyl) BenzenamineMFCD025712703-fluoro-4-morpholino-anilineLinezolid Amine Impurity

Database identifiers

CAS: 93246-53-8
PubChem CID: 1485330
DTXSID: DTXSID40363323

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 38.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 185

Physicochemical properties

Melting point: 121 · 121-123°C
Boiling point: 364.9 · 364.9±42.0 °C(Predicted)
Density: 1.232 · 1.232±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform, Methanol
form: Solid
pka: 6.53 · 6.53±0.40(Predicted)
color: Off-White to Brown
InChI: InChI=1S/C10H13FN2O/c11-9-7-8(12)1-2-10(9)13-3-5-14-6-4-13/h1-2,7H,3-6,12H2
InChIKey: FQGIBHQUVCGEAC-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(N2CCOCC2)C(F)=C1
CAS DataBase Reference: 93246 · 93246-53-8(CAS DataBase Reference)
FDA UNII: 59 MCD5UHX · S59MCD5UHX
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302+H312+H332 (16.7%): 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, P273, 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 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 05-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34325

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

Safety data

hs_code: 2934999090
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H302+H312+H332-H315-H319
REACH Registrations: Active
Precautionary statements: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501