6-Methoxy-3,4-dihydro-2H-1,4-benzoxazine - CAS 58960-11-5

Catalog:	BB030216
Product Name:	6-Methoxy-3,4-dihydro-2H-1,4-benzoxazine
CAS:	58960-11-5
Synonyms:	6-methoxy-3,4-dihydro-2H-1,4-benzoxazine; 6-methoxy-3,4-dihydro-2H-1,4-benzoxazine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-methoxy-3,4-dihydro-2H-1,4-benzoxazine
Description:	6-Methoxy-3,4-dihydro-2H-1,4-benzoxazine (CAS# 58960-11-5) is a useful research chemical.
Molecular Weight:	165.19
Molecular Formula:	C9H11NO2
Canonical SMILES:	COC1=CC2=C(C=C1)OCCN2
InChI:	InChI=1S/C9H11NO2/c1-11-7-2-3-9-8(6-7)10-4-5-12-9/h2-3,6,10H,4-5H2,1H3
InChI Key:	XLJYIYIBJUWRLF-UHFFFAOYSA-N
Boiling Point:	279.543 °C at 760 mmHg
Density:	1.121 g/cm³
Appearance:	Solid
MDL:	MFCD08236770
LogP:	1.63750

Publication Number	Title	Priority Date
US-2020331869-A1	Methods for Preparing Fuel Additives	20171227
US-2020332211-A1	Methods for Preparing Fuel Additives	20171227
WO-2019034581-A1	METHODS FOR REDUCING OXIDATION	20170814
WO-2019034582-A1	FUEL MIXING PROCESSES	20170814
WO-2019034584-A1	METHOD OF CONTROLLING DEPOSITS	20170814

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Related Functional Groups

Benzoxazines

[575474-01-0]
7-Amino-3,4-dihydro-2H-1,4-benzoxazine
[103361-99-5]
7-Fluoro-2H-1,4-benzoxazin-3(4H)-one
[82419-29-2]
7,8-Difluoro-3,4-dihydro-2H-1,4-benzoxazine
[121564-96-3]
6-Bromo-8-chloro-2H-benzo[b][1,4]oxazin-3(4H)-one
[1067171-66-7]
5-Fluoro-3,4-dihydro-2H-1,4-benzoxazine
[888731-58-6]
5-Methyl-3,4-dihydro-2H-1,4-benzoxazine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	152
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.078978594
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	165.078978594
Rotatable Bond Count:	1
Topological Polar Surface Area:	30.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6