6-Bromo-3,4-dihydro-2H-1,4-benzoxazine - CAS 105655-01-4

Catalog:	BB001688
Product Name:	6-Bromo-3,4-dihydro-2H-1,4-benzoxazine
CAS:	105655-01-4
Synonyms:	6-bromo-3,4-dihydro-2H-1,4-benzoxazine; 6-bromo-3,4-dihydro-2H-1,4-benzoxazine

Technical Data

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Computed Properties

IUPAC Name:	6-bromo-3,4-dihydro-2H-1,4-benzoxazine
Description:	6-Bromo-3,4-dihydro-2H-1,4-benzoxazine (CAS# 105655-01-4) is a reactant used for the synthesis of N-dichloroacetyl-3,4-dihydro-2H-1,4-benzoxazine derivatives.
Molecular Weight:	214.06
Molecular Formula:	C8H8BrNO
Canonical SMILES:	C1COC2=C(N1)C=C(C=C2)Br
InChI:	InChI=1S/C8H8BrNO/c9-6-1-2-8-7(5-6)10-3-4-11-8/h1-2,5,10H,3-4H2
InChI Key:	RWKBNMSHIJBNAO-UHFFFAOYSA-N
Boiling Point:	296.364 °C at 760 mmHg
Density:	1.534 g/cm³
Appearance:	Yellow to brown liquid
LogP:	2.39140

Publication Number	Title	Priority Date
CN-111763180-A	Benzoazaheterocycle compound and preparation method and pharmaceutical application thereof	20190402
WO-2020191022-A1	Inhibiting ubiquitin specific peptidase 9x	20190318
WO-2021055668-A1	Inhibiting ubiquitin specific peptidase 9x	20190318
US-2020197391-A1	Compounds that participate in cooperative binding and uses thereof	20181221
WO-2020132597-A1	Compounds that participate in cooperative binding and uses thereof	20181221

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Related Functional Groups

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[1514263-64-9]
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GHS Hazard Statement:	H302 (50%): 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:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.97893
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	212.97893
Rotatable Bond Count:	0
Topological Polar Surface Area:	21.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3