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Materiales de referencia
3-Chloro-4-methylaniline - analytical standard , CAS No.95-74-9

3-Chloro-4-methylaniline - analytical standard , CAS No.95-74-9

Name: 3-Chloro-4-methylaniline - analytical standard , CAS No.95-74-9
SKU: C106531
Availability: InStock

CAS: 95-74-9 Cat. No.: C106531 Fórmula: C₇H₈ClN Peso molecular: 141.6 Beilstein Registry Number: 636511 Número EC: 202-446-3

COA

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3-Chloro-4-methylaniline - analytical standard CAS No(95-74-9) by Aladdin Scientific

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Disponible para pedir

GRADE & PURITY Analytical standard ?

Synonyms

D77417 | STR02553 | 3-Chloro-4-methylaniline | 3-chloro-4-toluidine | EINECS 202-446-3 | NSC96620 | NSC-96620 | UNII-32Y306W7BQ | 3-chloro-4-methyl aniline | DRC 1339 | EN300-18377 | Benzenamine, 3-chloro-4-methyl- | MFCD00007773 | 4-AMINO-2-CHLOROTOLUENE

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Calculadoras de soluciones Reseñas

🧪

Why this grade

analytical standard Patrón analítico for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Protected from light,Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature

Enviado en

Normal

Grado

Patrón analítico

Nombres e identificadores

Pubchem Sid

528758709

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528758709

Sonrisas canónicas

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

IUPAC Name

3-chloro-4-methylaniline

InChIKey

RQKFYFNZSHWXAW-UHFFFAOYSA-N

INCHI

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

Isómeros SMILES

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

WGK Alemania

RTECS

XU5111000

Número ONU

2239

Grupo de embalaje

III

Peso molecular

141.6

Beilstein

636511

Reaxy-Rn

636511

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636511&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Clase Benzene and substituted derivatives
    - Subclass Toluenes

Kingdom	Organic compounds
Superclass	Benzenoids
Clase	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
Descripción	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 - chloroaniline
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

Estructura 3D

Objetivos asociados (humanos)

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

Objetivos asociados (no humanos)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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

lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

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

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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

Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)

Discover Target: Nr1i2

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

Mecanismos de acción

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

1 results found

Lot Number	Certificate Type	Fecha	Articulo
G1203072	Certificate of Analysis	Dec 11, 2023	C106531

Propiedades químicas y físicas

Sensibilidad	Light sensitive.
Punto de congelación (°C)	22 °C
Índice de refracción	1.584
Punto de inflamación (°F)	212 °F
Punto de inflamación (°C)	100 °C
Punto de ebullición (°C)	237-238°C
Punto de fusión (°C)	25°C
Peso molecular	141.600 g/mol
XLogP3	2.900
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 Å²
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

Calculadoras de soluciones

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Reseñas

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