2-Chloro-10-(3-chloropropyl)phenothiazine - ≥97% , CAS No.2765-59-5

CAS: 2765-59-5 Cat. No.: C357210 Molecular Weight: 310.24 EC Number: 220-438-8

GRADE & PURITY ≥97%

Synonyms

6H7RTH44UX | 2-Chlor-10-(3-chlorpropyl)-phenothiazin | EINECS 220-438-8 | EU-0002518 | DTXSID50182027 | J-016843 | T70706 | C3394 | SCHEMBL8053156 | 2-CHLORO-10-(3-CHLORO-PROPYL)-10H-PHENOTHIAZINE | 2-Chloro-10-(3-chloropropyl)-10H-phenothiazine | 2-Chlor

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

2-Chloro-10-(3-chloropropyl)phenothiazine is a Perphenazine intermediate.

Specifications

Synonyms

6H7RTH44UX | 2-Chlor-10-(3-chlorpropyl)-phenothiazin | EINECS 220-438-8 | EU-0002518 | DTXSID50182027 | J-016843 | T70706 | C3394 | SCHEMBL8053156 | 2-CHLORO-10-(3-CHLORO-PROPYL)-10H-PHENOTHIAZINE | 2-Chloro-10-(3-chloropropyl)-10H-phenothiazine | 2-Chlor

Specifications & Purity

≥97%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504755013
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755013
• Canonical Smiles: C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)CCCCl
• IUPAC Name: 2-chloro-10-(3-chloropropyl)phenothiazine
• InChIKey: SGWITRIKWQUYGZ-UHFFFAOYSA-N
• INCHI: 1S/C15H13Cl2NS/c16-8-3-9-18-12-4-1-2-5-14(12)19-15-7-6-11(17)10-13(15)18/h1-2,4-7,10H,3,8-9H2
• Isomeric SMILES: C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)CCCCl
• Molecular Weight: 310.24
• Reaxy-Rn: 30321
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30321&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzothiazines
      • Subclass Phenothiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzothiazines
• Subclass: Phenothiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenothiazines
• Alternative Parents: Alkyldiarylamines Diarylthioethers Benzenoids Aryl chlorides 1,4-thiazines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenothiazine - Alkyldiarylamine - Diarylthioether - Tertiary aliphatic/aromatic amine - Aryl thioether - Aryl chloride - Benzenoid - Para-thiazine - Aryl halide - Tertiary amine - Azacycle - Thioether - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Alkyl chloride - Amine - Alkyl halide - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.
• 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

Chemical and Physical Properties

• Sensitivity: light sensitive
• Flash Point(°C): 229°C
• Boil Point(°C): 135°C/0.1 mmHg
• Molecular Weight: 310.200 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 309.015 Da
• Monoisotopic Mass: 309.015 Da
• Topological Polar Surface Area: 28.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 302.000
• 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