6-Bromoquinoxaline - CAS 50998-17-9

Catalog:	BB027288
Product Name:	6-Bromoquinoxaline
CAS:	50998-17-9
Synonyms:	6-bromoquinoxaline

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Computed Properties

IUPAC Name:	6-bromoquinoxaline
Description:	6-Bromoquinoxaline (CAS# 50998-17-9) is a useful research chemical.
Molecular Weight:	209.04
Molecular Formula:	C8H5BrN2
Canonical SMILES:	C1=CC2=NC=CN=C2C=C1Br
InChI:	InChI=1S/C8H5BrN2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-5H
InChI Key:	NOYFLUFQGFNMRB-UHFFFAOYSA-N
Boiling Point:	300.2 °C at 760 mmHg
Purity:	97 %
Density:	1.656 g/cm³
Appearance:	Yellow solid
MDL:	MFCD00837757
LogP:	2.39230

Publication Number	Title	Priority Date
CN-113461669-A	Novel androgen receptor degradation agent, preparation method and medical application	20210322
CN-112142797-A	Phosphorus-containing quinoxaline compound and preparation method and application thereof	20200911
CN-113024435-A	Linbicyclic structure sigma-1 receptor inhibitors	20191209
CN-110483420-B	Preparation method of tetrahydroquinoxaline compound	20190827
WO-2021013993-A1	Organic molecules for optoelectronic devices	20190725

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Related Functional Groups

Quinoxalines

[82031-32-1]
7-Bromoquinoxalin-2(1H)-one
[6925-00-4]
Quinoxaline-6-carboxylic acid
[2756334-24-2]
7-Bromo-8-fluoro-3-methyl-3,4-dihydroquinoxalin-2(1H)-one
[2756334-26-4]
7-Bromo-8-fluoro-3-methylquinoxalin-2(1H)-one
[32601-86-8]
2-Chloro-3-methylquinoxaline
[1360599-43-4]
5-Bromo-8-methylquinoxaline

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GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.96361
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	207.96361
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2