5-Chloro-2-methylaniline - ≥99% , CAS No.95-79-4

CAS: 95-79-4 Cat. No.: C106532 분자식: C₇H₈ClN 분자량: 141.6 Beilstein Registry Number: 878504 EC 번호: 202-452-6

GRADE & PURITY ≥99%

Synonyms

CAS-95-79-4 | NCGC00091165-01 | NCGC00091165-02 | NCI-C02051 | Azoic Diazo Component 32 | UNII-LW5K546DTR | 5-chloro-2-methyl aniline | CCG-302524 | MFCD00007779 | Lake Red BK base | 5-chloro-2-methylphenylamine | 5-Chloro-2-methyl-phenylamine | 5-Chloro-

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

동의어

CAS-95-79-4 | NCGC00091165-01 | NCGC00091165-02 | NCI-C02051 | Azoic Diazo Component 32 | UNII-LW5K546DTR | 5-chloro-2-methyl aniline | CCG-302524 | MFCD00007779 | Lake Red BK base | 5-chloro-2-methylphenylamine | 5-Chloro-2-methyl-phenylamine | 5-Chloro-

사양 및 순도

≥99%

보관 조건

Room temperature

배송

FedEx DG Service

순수함

≥99%

이름과 식별자

Pubchem Sid

488180361

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180361

정식 스마일

CC1=C(C=C(C=C1)Cl)N

IUPAC Name

5-chloro-2-methylaniline

InChIKey

WRZOMWDJOLIVQP-UHFFFAOYSA-N

INCHI

1S/C7H8ClN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3

이성체 SMILES

CC1=C(C=C(C=C1)Cl)N

WGK 독일

3

RTECS

XU5075000

UN 번호

3429

분자량

141.6

Beilstein

878504

Reaxy-Rn

878504

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878504&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminotoluenes
• Alternative Parents: Aniline and substituted anilines Chlorobenzenes Aryl chlorides Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminotoluene - Aniline or substituted anilines - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino group.
• External Descriptors: monochlorobenzenes

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

관련 대상(인간)

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in Alcohol
• 감도: Light Sensitive,Air Sensitive
• 동결점(°C): 23 °C
• 굴절률: 1.58
• 발화점(°F): 160 °C
• 발화점(°C): 160°C
• 끓는점(°C): 237°C
• 녹는점(°C): 22°C
• 분자량: 141.600 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 141.035 Da
• Monoisotopic Mass: 141.035 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 94.900
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥99% 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 is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 95-79-4, the molecular formula is C7H8ClN, and the molecular weight is 141.6 g/mol. InChIKey WRZOMWDJOLIVQP-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.