2-Chloro-6-nitrobenzothiazole - CAS 2407-11-6

Name: 2-Chloro-6-nitrobenzothiazole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB018318
Product Name:	2-Chloro-6-nitrobenzothiazole
CAS:	2407-11-6
Synonyms:	2-chloro-6-nitro-1,3-benzothiazole; 2-chloro-6-nitro-1,3-benzothiazole

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-6-nitro-1,3-benzothiazole
Description:	2-Chloro-6-nitrobenzothiazole (CAS# 2407-11-6) is a useful research chemical.
Molecular Weight:	214.63
Molecular Formula:	C7H3ClN2O2S
Canonical SMILES:	C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)Cl
InChI:	InChI=1S/C7H3ClN2O2S/c8-7-9-5-2-1-4(10(11)12)3-6(5)13-7/h1-3H
InChI Key:	KUCSJGBXJBQHNI-UHFFFAOYSA-N
Boiling Point:	348.1 °C at 760 mmHg
Density:	1.65 g/cm³
Appearance:	White to yellow and faint beige to beige powder or crystals
MDL:	MFCD00022852
LogP:	3.38110

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[32894-07-8]C9H11NS · HCl
Benzyl thioacetimidate hydrochloride
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]C8H11N3O2
1-Cyclopentyl-5-nitro-1H-pyrazole
[55877-31-1]C9H5NO
1-Benzofuran-3-carbonitrile
[916792-07-9]C8H5BrFN
2-Bromo-4-fluoro-5-methylbenzonitrile

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112110989-A	Polypeptide molecular probe for in vivo detection of thrombin and preparation method thereof	20200828
KR-102178181-B1	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
KR-20200076655-A	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
WO-2021046194-A1	Tryptoline-based benzothiazoles and their use as antibiotics and antibiotic resistance-modifying agents	20190903
WO-2020130214-A1	Novel hydrazone derivative with aryl or heteroaryl group substituted at terminal amine group thereof and use thereof	20181219

Complexity:	223
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.9603762
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	213.9603762
Rotatable Bond Count:	0
Topological Polar Surface Area:	87 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4