(2,3,6-Trichlorophenyl)methanamine - ≥95% , CAS No.4960-49-0

CAS: 4960-49-0 Cat. No.: T589253 분자식: C₇H₆Cl₃N 분자량: 210.5 PubChem CID: 21532759

등급 & 순도 ≥95%

Synonyms

2,3,6-TRICHLOROBENZYLAMINE | F75688 | 2-(4-AMINOANILINE)-5-NITROBENZENESULPHONICACID | SCHEMBL1765193 | (2,3,6-trichlorophenyl)methanamine | 1-(2,3,6-Trichlorophenyl)methanamine | A1-01510 | DTXSID20615675 | EN300-148027

Storage

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

Shipped In

Wet ice

사양

동의어

2,3,6-TRICHLOROBENZYLAMINE | F75688 | 2-(4-AMINOANILINE)-5-NITROBENZENESULPHONICACID | SCHEMBL1765193 | (2,3,6-trichlorophenyl)methanamine | 1-(2,3,6-Trichlorophenyl)methanamine | A1-01510 | DTXSID20615675 | EN300-148027

사양 및 순도

≥95%

보관 조건

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

배송

Wet ice

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순수함

≥95%

이름과 식별자

Pubchem Sid

508806453

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508806453

정식 스마일

C1=CC(=C(C(=C1Cl)CN)Cl)Cl

IUPAC Name

(2,3,6-trichlorophenyl)methanamine

InChIKey

BQTDSTACPKSLCW-UHFFFAOYSA-N

INCHI

1S/C7H6Cl3N/c8-5-1-2-6(9)7(10)4(5)3-11/h1-2H,3,11H2

이성체 SMILES

C1=CC(=C(C(=C1Cl)CN)Cl)Cl

PubChem CID

21532759

분자량

210.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Chlorobenzenes Aralkylamines Aryl chlorides Organopnictogen compounds Organochlorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Amine - Organochloride - Organohalogen compound - Primary aliphatic amine - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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

• 감도: Light sensitive
• 분자량: 210.500 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 208.957 Da
• Monoisotopic Mass: 208.957 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 11
• 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