4-chloro-2,5-dimethoxyaniline

• ChemBase ID: 89387
• Molecular Formular: C8H10ClNO2
• Molecular Mass: 187.6235
• Monoisotopic Mass: 187.04000625
• SMILES: Nc1c(cc(c(c1)OC)Cl)OC
• Canonical SMILES: COc1cc(Cl)c(cc1N)OC
• InChI: InChI=1S/C8H10ClNO2/c1-11-7-4-6(10)8(12-2)3-5(7)9/h3-4H,10H2,1-2H3
• InChIKey: YGUFQYGSBVXPMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2,5-dimethoxyaniline
• IUPAC Traditional name: 4-chloro-2,5-dimethoxyaniline
• Synonyms: 4-Chloro-2,5-dimethoxyaniline; 4-Chloro-2,5-dimethoxyaniline; 2,5-DIMETHOXY-4-CHLOROANILINE; 4-氯-2,5-二甲氧基苯胺

Database IDs

• CAS Number: 6358-64-1
• EC Number: 228-782-0
• MDL Number: MFCD00014893
• Beilstein Number: 880445
• PubChem SID: 24878158; 162076267
• PubChem CID: 22833

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4308966
• LogD (pH = 7.4): 1.4329952
• Log P: 1.433022
• Molar Refractivity: 48.4896 cm^3
• Polarizability: 18.420492 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 118-120 °C(lit.); 118-120°C; 118-121°C
• Flash Point: 163 °C; 163°C(325°F); 325.4 °F

Safety Information

• RTECS: BX1225000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22; 22-48/22
• Safety Statements: 36
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H373; H302
• GHS Precautionary statements: P260-P264-P301+P310-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%; 98%
• Linear Formula: ClC6H2(OCH3)2NH2

DETAILS

MP Biomedicals - 05203051

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 536385

Packaging
100 g in glass bottle