1-(4-Chlorophenyl)ethylamine - ≥97% , CAS No.6299-02-1

CAS: 6299-02-1 Cat. No.: C185668 Formula: C₈H₁₀ClN Peso molecolare: 155.6 Numero EC: 228-576-0

GRADE & PURITY ≥97%

Synonyms

1-(4-chlorophenyl)ethan-1-amine | 1-(4-chlorophenyl)-1-ethanamine | EN300-10020 | SB76548 | SCHEMBL177057 | BB 0254687 | MLN-4924003 | A834135 | NSC 42452 | SY139112 | FT-0636081 | SB76104 | (+/-) 1-(4-chlorophenyl)ethylamine | 5-AMINO-BENZOFURAN-2-CARBOX

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

1-(4-Chlorophenyl)ethylamine is a chiral amine that may be used in the preparation of N-phenylacetyl-(R)-1-(4-chlorophenyl)ethylamine via enantioselective acylation in aqueous medium and in the presence of penicillin acylase from Alcaligenes faecalis.

Specifications

Sinonimi

1-(4-chlorophenyl)ethan-1-amine | 1-(4-chlorophenyl)-1-ethanamine | EN300-10020 | SB76548 | SCHEMBL177057 | BB 0254687 | MLN-4924003 | A834135 | NSC 42452 | SY139112 | FT-0636081 | SB76104 | (+/-) 1-(4-chlorophenyl)ethylamine | 5-AMINO-BENZOFURAN-2-CARBOX

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 488187081
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187081
• Sorrisi canonici: CC(C1=CC=C(C=C1)Cl)N
• IUPAC Name: 1-(4-chlorophenyl)ethanamine
• InChIKey: PINPOEWMCLFRRB-UHFFFAOYSA-N
• INCHI: 1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3
• Isomeri SMILES: CC(C1=CC=C(C=C1)Cl)N
• Numero UN: 2735
• Gruppo di imballaggio: II
• Peso molecolare: 155.6
• Reaxy-Rn: 636601
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636601&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Aralkylamines Aryl chlorides Organopnictogen compounds Organochlorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aralkylamine - Chlorobenzene - Aryl halide - Aryl chloride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.543
• Peso molecolare: 155.620 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 155.05 Da
• Monoisotopic Mass: 155.05 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 97.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Riferimenti

1. Zicheng Li, Xinyu Duan, Hanting Meng, Tao Man, Nan Gong, Lin-Han Li, Zehui Zhou, Can Wang, Gongxun Bai, Zhi Chen, Zhenhuang Su, Xingyu Gao, Xiaofeng Liu, Weidong Shen, Wei Qin, Peng Gao, YuHuang Wang, Lijun Zhang, Ping-Heng Tan, Hailong Chen, Jianrong Qiu, Yuanhui Sun, Beibei Xu.  (2026)  Abnormal Chiral Coupling for Efficient and Stable Reduced-Dimensional Perovskite Emitters.  ACS Nano,      [PMID:41820821] [10.1021/acsnano.5c18306]

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 6299-02-1, the molecular formula is C8H10ClN, and the molecular weight is 155.6 g/mol. InChIKey PINPOEWMCLFRRB-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.