2-Chloro-6-ethoxybenzothiazole - ≥97% , CAS No.79071-17-3

CAS: 79071-17-3 Cat. No.: C697518 Molecular Weight: 213.68
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
2-Chloro-6-ethoxybenzo[d]thiazole | 2-chloro-6-ethoxy-1,3-benzothiazole | 2-Chloro-6-ethoxy-benzothiazole
Storage
Store at 2-8°C
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
C697518-250mg
2
$116.90
50mg
C697518-50mg
2

$50.90

$76.90
Save $26.00 (33.81%)
1g
C697518-1g
1
$325.90
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
2-Chloro-6-ethoxybenzo[d]thiazole | 2-chloro-6-ethoxy-1, 3-benzothiazole | 2-Chloro-6-ethoxy-benzothiazole
Specifications & Purity
≥97%
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥97%
Names and Identifiers
Canonical SmilesCCOC1=CC2=C(C=C1)N=C(S2)Cl
IUPAC Name2-chloro-6-ethoxy-1,3-benzothiazole
InChIKeyOJRYLNVGOPEAEP-UHFFFAOYSA-N
INCHI1S/C9H8ClNOS/c1-2-12-6-3-4-7-8(5-6)13-9(10)11-7/h3-5H,2H2,1H3
Isomeric SMILES CCOC1=CC2=C(C=C1)N=C(S2)Cl
Alternate CAS 79071-17-3
NSC Number 503417
Molecular Weight 213.68

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassBenzothiazoles
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzothiazoles
Alternative Parents Alkyl aryl ethers  Benzenoids  Aryl chlorides  Thiazoles  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 1,3-benzothiazole - Alkyl aryl ether - Aryl chloride - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Azacycle - Ether - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CGA Tbio Glycoprotein hormones alpha chain (29278 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot NumberCertificate TypeDateItem
J2517409Certificate of AnalysisAug 27, 2025 C697518
J2517410Certificate of AnalysisAug 27, 2025 C697518
J2517413Certificate of AnalysisAug 27, 2025 C697518
Chemical and Physical Properties
Molecular Weight213.680 g/mol
XLogP34.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass213.002 Da
Monoisotopic Mass213.002 Da
Topological Polar Surface Area50.400 Ų
Heavy Atom Count13
Formal Charge0
Complexity181.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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