3-Fluoro-4-morpholinoaniline - CAS 93246-53-8

Catalog:	BB040817
Product Name:	3-Fluoro-4-morpholinoaniline
CAS:	93246-53-8
Synonyms:	3-fluoro-4-(4-morpholinyl)aniline; 3-fluoro-4-morpholin-4-ylaniline

Technical Data

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Computed Properties

IUPAC Name:	3-fluoro-4-morpholin-4-ylaniline
Description:	Intermediate in the synthesis of Linezolid (L466500).
Molecular Weight:	196.22
Molecular Formula:	C10H13FN2O
Canonical SMILES:	C1COCCN1C2=C(C=C(C=C2)N)F
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
InChI Key:	FQGIBHQUVCGEAC-UHFFFAOYSA-N
Boiling Point:	364.9 °C at 760 mmHg
Density:	1.232 g/cm³
Storage:	Keep in dark place, Inert atmosphere, Room temperature
LogP:	1.89070

Publication Number	Title	Priority Date
CN-113244169-A	Linezolid sodium chloride injection and preparation method thereof	20210520
CN-112457236-A	Preparation method of linezolid intermediate	20201123
CN-111995594-A	Continuous nitration method of 1, 2-diazoxynaphthalene-4-sulfonic acid and product	20200927
CN-112159368-A	Synthesis method of linezolid intermediate	20200707
CN-111686072-A	Linezolid injection and preparation method thereof	20200628

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GHS Hazard Statement:	H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.10119120
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	196.10119120
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1