2-Chloro-6-methoxyaniline - ≥98% , CAS No.158966-62-2

CAS: 158966-62-2 Cat. No.: C191207 분자식: C₇H₈ClNO 분자량: 157.60 EC 번호: 890-269-8

GRADE & PURITY ≥98%

Synonyms

EN300-42580 | MFCD14455911 | SEZKSJHQUIRBCN-UHFFFAOYSA-N | SY114665 | 2-Chloro-6-methoxyaniline | SB76190 | AM83274 | Benzenamine, 2-chloro-6-methoxy- | AKOS006221152 | CL9146 | 2-chloro-6-methoxyphenylamine | DS-4384 | AN-584/43422706 | 2-amino-3-chloroa

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

동의어

EN300-42580 | MFCD14455911 | SEZKSJHQUIRBCN-UHFFFAOYSA-N | SY114665 | 2-Chloro-6-methoxyaniline | SB76190 | AM83274 | Benzenamine, 2-chloro-6-methoxy- | AKOS006221152 | CL9146 | 2-chloro-6-methoxyphenylamine | DS-4384 | AN-584/43422706 | 2-amino-3-chloroa

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Protected from light,Argon charged

배송

Wet ice

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순수함

≥98%

이름과 식별자

• 정식 스마일: COC1=C(C(=CC=C1)Cl)N
• IUPAC Name: 2-chloro-6-methoxyaniline
• InChIKey: SEZKSJHQUIRBCN-UHFFFAOYSA-N
• INCHI: 1S/C7H8ClNO/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,9H2,1H3
• 이성체 SMILES: COC1=C(C(=CC=C1)Cl)N
• 분자량: 157.60
• Reaxy-Rn: 3240623
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3240623&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenol ethers
      • Subclass Aminophenyl ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenol ethers
• Subclass: Aminophenyl ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminophenyl ethers
• Alternative Parents: Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Primary amines Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Ether - Organohalogen compound - Primary amine - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene 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

화학 및 물리적 특성

• 발화점(°C): 96.1±21.8°C
• 끓는점(°C): 246 °C at 760 mmHg
• 분자량: 157.600 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 157.029 Da
• Monoisotopic Mass: 157.029 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 110.000
• 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