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Merck

8.02295

4-Chloro-3-methylphenol

for synthesis

Synonym(s):

4-Chloro-3-methylphenol, 4-Chloro-m-cresol, 2-Chloro-5-hydroxytoluene

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About This Item

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

Key Documents

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Product Name

4-Chloro-3-methylphenol, for synthesis

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

vapor pressure

<0.1 hPa ( 20 °C)

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

Quality Level

200

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

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).

signalword

Danger

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

Certificates of Analysis (COA)

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