8.02295

4-Chloro-3-methylphenol

for synthesis

• Synonym(s): 4-Chloro-3-methylphenol, 4-Chloro-m-cresol, 2-Chloro-5-hydroxytoluene
• Linear Formula: 4-(Cl)-3-(CH₃)C₆H₃OH
• CAS Number: 59-50-7
• Molecular Weight: 142.58
• UNSPSC Code: 12352104
• EC Index Number: 200-431-6
• NACRES: NA.22
• MDL number: MFCD00002323
• Assay: ≥99.0% (GC)
• Form: powder

Properties

• vapor pressure: <0.1 hPa ( 20 °C)
• Quality Level: 200
• assay: ≥99.0% (GC)
• form: powder
• autoignition temp.: 590 °C
• potency: 1830 mg/kg LD₅₀, oral (Rat), >2000 mg/kg LD₅₀, skin (Rat)
• pH: 6.5 (20 °C, 1 g/L in H₂O)
• bp: 235-239 °C/1013 hPa
• mp: 63-65 °C
• transition temp: flash point 118 °C
• solubility: 3.9 g/L
• density: 1.37 g/cm³ at 20 °C
• bulk density: 800 kg/m³
• storage temp.: 2-30°C
• SMILES string: Clc1c(cc(cc1)O)C
• InChI: 1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3
• InChI key: CFKMVGJGLGKFKI-UHFFFAOYSA-N

Description

Application

• Compression of mono-4 chloro, 3-methylphenyl phosphate ester and di-4 chloro, 3-methylphenyl phosphate ester through kinetic study: This study discusses a method using 4-chloro-3-methylphenol and POCl3 taken in a 2:1 ratio, exploring their kinetic behaviors (AR Teli, AA Khan, SH Dar, A Rashid, 2017).
• Commercially Important Chlorinated Phenols: Reviews the usage of 4-chloro-3-methylphenol among other chlorinated phenols in various industrial applications (K Smith, G El-Hiti).

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)
Melting range (lower value): ≥ 64 °C
Melting range (upper value): ≤ 67 °C
Identity (IR): passes test

Safety Information

• pictograms: GHS05,GHS07,GHS09
• signalword: Danger
• hcodes: H302,H314,H317,H335,H410
• pcodes: P260 - P273 - P280 - P301 + P312 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 3 - Eye Dam. 1 - Skin Corr. 1C - Skin Sens. 1B - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• wgk: WGK 2
• flash_point_f: 244.4 °F - closed cup
• flash_point_c: 118.0 °C - closed cup