2-Chloro-6-fluorobenzothiazole - ≥97% , CAS No.399-74-6

CAS: 399-74-6 Cat. No.: W136599 Molecular Weight: 187.62 EC Number: 625-853-1 PubChem CID: 2049870
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
BCP27034 | MFCD04448822 | FT-0657971 | AKOS005208050 | SCHEMBL369984 | DTXSID50365954 | 2-chloro-6-fluoro-1,3-benzothiazole | C2607 | BP-12403 | 2-chloro-6-fluoro benzothiazole | EN300-237643 | 2-chloro-6-fluorobenzo[d]thiazole | ISIIQFDYFMPPOA-UHFFFAOYSA
Storage
Room temperature
Shipped In
Normal
Size
Status
Price
Qty
1g
W136599-1g
10

$10.90

$16.90
Save $6.00 (35.50%)
5g
W136599-5g
4

$41.90

$62.90
Save $21.00 (33.39%)
25g
W136599-25g
2

$157.90

$236.90
Save $79.00 (33.35%)
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Why this grade

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

🌡

Storage & shipping

Room temperature Ships Normal 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
BCP27034 | MFCD04448822 | FT-0657971 | AKOS005208050 | SCHEMBL369984 | DTXSID50365954 | 2-chloro-6-fluoro-1, 3-benzothiazole | C2607 | BP-12403 | 2-chloro-6-fluoro benzothiazole | EN300-237643 | 2-chloro-6-fluorobenzo[d]thiazole | ISIIQFDYFMPPOA-UHFFFAOYSA
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Pubchem Sid488192032
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488192032
Canonical SmilesC1=CC2=C(C=C1F)SC(=N2)Cl
IUPAC Name2-chloro-6-fluoro-1,3-benzothiazole
InChIKeyISIIQFDYFMPPOA-UHFFFAOYSA-N
INCHI1S/C7H3ClFNS/c8-7-10-5-2-1-4(9)3-6(5)11-7/h1-3H
Isomeric SMILES C1=CC2=C(C=C1F)SC(=N2)Cl
WGK Germany 3
PubChem CID 2049870
Molecular Weight 187.62

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.

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🔬 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 Benzenoids  Aryl fluorides  Aryl chlorides  Thiazoles  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organofluorides  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 1,3-benzothiazole - Aryl chloride - Aryl fluoride - Aryl halide - Benzenoid - Heteroaromatic compound - Azole - Thiazole - Azacycle - Organochloride - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organofluoride - 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





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.

8 results found

Lot NumberCertificate TypeDateItem
E1712120Certificate of AnalysisJul 07, 2026 W136599
K22301219Certificate of AnalysisMar 10, 2025 W136599
K22301334Certificate of AnalysisJan 14, 2025 W136599
K22301217Certificate of AnalysisSep 20, 2024 W136599
K22301300Certificate of AnalysisSep 20, 2024 W136599
K22301301Certificate of AnalysisSep 20, 2024 W136599
K22301322Certificate of AnalysisSep 20, 2024 W136599
L2418231Certificate of AnalysisSep 20, 2024 W136599
Chemical and Physical Properties
Melt Point(°C)93 °C
Molecular Weight187.620 g/mol
XLogP33.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass186.966 Da
Monoisotopic Mass186.966 Da
Topological Polar Surface Area41.100 Ų
Heavy Atom Count11
Formal Charge0
Complexity157.000
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
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