2-Chlorobenzothiazole - ≥98%(GC) , CAS No.615-20-3

CAS: 615-20-3 Cat. No.: C135221 Summenformel: C₇H₄ClNS Molekulargewicht: 169.63 Beilstein Registry Number: 27,44 EG-Nummer: 210-415-0

GRADE & PURITY ≥98%(GC)

Synonyms

2-chlorobenzthiazole | AKOS000121331 | 2-Chlorobenzothiazole, 99% | Tox21_303729 | EN300-23023 | WLN: T56 BN DSJ CG | W-105143 | InChI=1/C7H4ClNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4 | 2-CHLOROBENZO[D]THIAZOLE | 2-chloro-benzo[d]thiazole | AM20040862 | MFCD0000

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2-chlorobenzthiazole | AKOS000121331 | 2-Chlorobenzothiazole, 99% | Tox21_303729 | EN300-23023 | WLN: T56 BN DSJ CG | W-105143 | InChI=1/C7H4ClNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4 | 2-CHLOROBENZO[D]THIAZOLE | 2-chloro-benzo[d]thiazole | AM20040862 | MFCD0000

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

488181502

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181502

Kanonisches Lächeln

C1=CC=C2C(=C1)N=C(S2)Cl

IUPAC Name

2-chloro-1,3-benzothiazole

InChIKey

BSQLQMLFTHJVKS-UHFFFAOYSA-N

INCHI

1S/C7H4ClNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H

Isomere SMILES

C1=CC=C2C(=C1)N=C(S2)Cl

WGK Deutschland

3

RTECS

DL3150000

Molekulargewicht

169.63

Beilstein

27,44

Reaxy-Rn

116316

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=116316&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Benzenoids Aryl chlorides Thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Benzenoid - Aryl halide - Aryl chloride - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.64
• Flammpunkt (°F): 230 °F
• Flammpunkt (°C): 110 °C
• Siedepunkt (°C): 248 °C
• Schmelzpunkt (°C): 21 °C
• Molekulargewicht: 169.630 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 168.975 Da
• Monoisotopic Mass: 168.975 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 131.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1