1-(3,4-Dichlorophenyl)ethanamine - ≥98% , CAS No.74877-07-9

CAS: 74877-07-9 Cat. No.: D186401 분자식: C₈H₉Cl₂N 분자량: 190.1

GRADE & PURITY ≥98%

Synonyms

[1-(3,4-dichlorophenyl)ethyl]amine | Z56347253 | FT-0677963 | 1-(3,4-dichlorophenyl)ethan-1-amine | SY079692 | AKOS016344249 | 1-(3,4-Dichlorophenyl)ethylamine | 1-(3,4-Dichloro-phenyl)-ethylamine | 1-(3,4-dichlorophenyl)-ethylamine | SCHEMBL61975 | BS-13

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

[1-(3,4-dichlorophenyl)ethyl]amine | Z56347253 | FT-0677963 | 1-(3,4-dichlorophenyl)ethan-1-amine | SY079692 | AKOS016344249 | 1-(3,4-Dichlorophenyl)ethylamine | 1-(3,4-Dichloro-phenyl)-ethylamine | 1-(3,4-dichlorophenyl)-ethylamine | SCHEMBL61975 | BS-13

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

• 정식 스마일: CC(C1=CC(=C(C=C1)Cl)Cl)N
• IUPAC Name: 1-(3,4-dichlorophenyl)ethanamine
• InChIKey: UJUFOUVXOUYYRG-UHFFFAOYSA-N
• INCHI: 1S/C8H9Cl2N/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5H,11H2,1H3
• 이성체 SMILES: CC(C1=CC(=C(C=C1)Cl)Cl)N
• 분자량: 190.1
• Reaxy-Rn: 2413761
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2413761&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aralkylamines Aryl chlorides Organochlorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,2-dichlorobenzene - Aralkylamine - Aryl halide - Aryl chloride - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

화학 및 물리적 특성

• 분자량: 190.070 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 189.011 Da
• Monoisotopic Mass: 189.011 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 129.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 74877-07-9, the molecular formula is C8H9Cl2N, and the molecular weight is 190.1 g/mol. InChIKey UJUFOUVXOUYYRG-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.