2-Quinoxaloyl chloride - CAS 54745-92-5

Catalog:	BB028810
Product Name:	2-Quinoxaloyl chloride
CAS:	54745-92-5
Synonyms:	quinoxaline-2-carbonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	quinoxaline-2-carbonyl chloride
Description:	2-Quinoxaloyl chloride (CAS# 54745-92-5) is a useful research chemical.
Molecular Weight:	192.60
Molecular Formula:	C9H5ClN2O
Canonical SMILES:	C1=CC=C2C(=C1)N=CC(=N2)C(=O)Cl
InChI:	InChI=1S/C9H5ClN2O/c10-9(13)8-5-11-6-3-1-2-4-7(6)12-8/h1-5H
InChI Key:	SOPDQKNXOCUBSR-UHFFFAOYSA-N
Boiling Point:	324.4 °C at 760 mmHg
Purity:	98 %
Density:	1.411 g/cm³
MDL:	MFCD00006725
LogP:	2.00880

Publication Number	Title	Priority Date
AU-2018360857-A1	Modulators of the integrated stress pathway	20171102
TW-201927756-A	Integrating stress pathway regulator	20171102
WO-2019090076-A1	Modulators of the integrated stress pathway	20171102
EP-3710428-A1	Modulators of the integrated stress pathway	20171102
KR-20200096522-A	Modulators of the integrated stress pathway	20171102

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Related Functional Groups

Quinoxalines

[7065-23-8]
Ethyl 2-quinoxalinecarboxylate
[36856-91-4]
2-Bromoquinoxaline
[1628908-19-9]
5-Bromo-7-fluoroquinoxaline
[2227206-68-8]
5-Bromo-8-chloroquinoxaline
[1360599-43-4]
5-Bromo-8-methylquinoxaline
[7576-88-7]
6-Amino-2,3-dimethylquinoxaline

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	210
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.0090405
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	192.0090405
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6