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

CAS: 95-74-9 Cat. No.: C106531 Fórmula: C7H8ClN Peso molecular: 141.6 Beilstein Registry Number: 636511 Número CE: 202-446-3
Disponível para encomenda
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
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
★
Size
Alemanha (EU)
USA*
Price
Qty
1g
C106531-1g
—
3 Em stock

51,11€

77,14€
Gravar 26,03 € (33.75%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

analytical standard Analytical standard 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
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
Especificações e pureza
analytical standard
Condições de armazenamento de armazenamento
Protected from light,Room temperature
Enviado em
Normal
Grau
Analytical standard
Nomes e identificadores
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/528758709
Sorrisos canónicos
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
SMILES isoméricas
CC1=C(C=C(C=C1)N)Cl
WGK Alemanha
2
RTECS
XU5111000
Número UN
2239
Grupo de embalagem
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.

Download SDS →

✅ Certificate of Analysis (COA)

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

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClasseBenzene and substituted derivatives
SubclassToluenes
Intermediate Tree Nodes Not available
Direct ParentAminotoluenes
Alternative Parents Aniline and substituted anilines  Chlorobenzenes  Aryl chlorides  Primary amines  Organopnictogen compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic 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
DescriçãoThis 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
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
Ppard Peroxisome proliferator-activated receptor delta (358 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
lef Anthrax lethal factor (7585 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
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 NumberCertificate TypeDataItem
G1203072Certificate of AnalysisDec 11, 2023 C106531
Propriedades químicas e físicas
SensibilidadeLight sensitive.
Ponto de congelamento (°C)22 °C
Índice de refração1.584
Ponto de inflamação (°F)212 °F
Ponto de inflamação (°C)100 °C
Ponto de ebulição (°C)237-238°C
Ponto de fusão (°C)25°C
Peso molecular141.600 g/mol
XLogP32.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass141.035 Da
Monoisotopic Mass141.035 Da
Topological Polar Surface Area26.000 Ų
Heavy Atom Count9
Formal Charge0
Complexity94.900
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

Avaliações dos Clientes

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