2-chloro-4-methylaniline

• ChemBase ID: 77566
• Molecular Formular: C7H8ClN
• Molecular Mass: 141.59812
• Monoisotopic Mass: 141.03452694
• SMILES: Nc1c(cc(cc1)C)Cl
• Canonical SMILES: Cc1ccc(c(c1)Cl)N
• InChI: InChI=1S/C7H8ClN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
• InChIKey: XGYLSRFSXKAYCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-methylaniline
• IUPAC Traditional name: 2-chloro-4-methylaniline
• Synonyms: 2-Chloro-p-toluidine; 2-Chloro-4-methylaniline; 4-Amino-3-chlorotoluene; 2-Chloro-4-methylaniline; 4-AMINO-3-CHLOROTOLUENE; 2-氯对甲苯胺; 4-氨基-3-氯甲苯; 2-氯-4-甲基苯胺

Database IDs

• CAS Number: 615-65-6
• EC Number: 210-440-7
• MDL Number: MFCD00007666
• Beilstein Number: 774514
• PubChem SID: 24855052; 24847644; 162042438
• PubChem CID: 12007

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2595751
• LogD (pH = 7.4): 2.261758
• Log P: 2.261786
• Molar Refractivity: 40.6044 cm^3
• Polarizability: 15.095062 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 7 °C(lit.); 7°C; 7°C
• Boiling Point: 223-225 °C(lit.); 223-225°C; 223-225°C
• Flash Point: 210.2 °F; 99 °C; 99°C; 99°C(210°F)
• Density: 1.151; 1.151 g/mL at 25 °C(lit.)
• Refractive Index: 1.575; 1.5750; n20/D 1.575; n20/D 1.575(lit.)

Safety Information

• Storage Warning: Toxic/Harmful/Irritant/Corrosive/Light Sensitive/Keep Cold
• RTECS: XU5110000
• European Hazard Symbols: X; Irritant (Xi); Harmful (Xn)
• UN Number: 3429; UN3429
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 20/21/22; 20/21/22-33-36/38; R:36
• Safety Statements: 26-28-36/37; 36/37; S:26
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-H315-H318-H332; H331-H302-H312-H315-H319-H373
• GHS Precautionary statements: P260-P305+P351+P338-P302+P352-P321-P405-P501A; P280-P305 + P351 + P338
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3429 6.1/PG 3

Product Information

• Purity: ≥97.0% (GC); 98%
• Linear Formula: ClC6H3(CH3)NH2

DETAILS

MP Biomedicals - 05214466

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 125075

Packaging
5, 25 g in glass bottle