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CAS 62625-22-3 Zincon, AR molecular structure lightbox
CAS RN: 62625-22-3

Zincon, AR

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250422 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Chongqing, Hebei, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260116 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei, Chongqing Inquiry
  • Product code: LINZ820653
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62625-22-3 / 4-chlorophenol

Standard CAS: 62625-22-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
62625-22-3
Multi CAS
Yes
Molecular Formula
C6H5CLO
Molecular Weight
128.550000
Exact Mass
128.002893
InChI
InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKey
WXNZTHHGJRFXKQ-UHFFFAOYSA-N

Physical Properties

Melting Point
109.8 to 110.7 °F (NTP, 1992) 42.8 °C 43 °C
Boiling Point
428 °F at 760 mmHg (NTP, 1992) 220 °C
Density
1.31 at 68 °F (USCG, 1999) - Denser than water; will sink 1.2238 at 78 °C/4 °C Density/Specific gravity: 1.2651 at 40 °C/4 °C 1.3 g/cm³ Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.00
Physical Description
P-chlorophenol appears as white crystals with a strong phenol odor. Slightly soluble to soluble in water, depending on the isomer, and denser than water. Noncombustible. Used as an intermediate in organic synthesis of dyes and drugs. White solid; Yellow or pink if not pure; Unpleasant, penetrating odor; [Hawley] Off-white crystalline powder; COLOURLESS-TO-YELLOW CRYSTALS WITH CHARACTERISTIC ODOUR.
Appearance
Needle like, white to straw-colored crystals White crystals (yellow or pink when impure) Yellow solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.12
TPSA
20.23

LogP / Solubility

WLOGP
2.05
MLOGP
1.79
XLogP3
2.4
Consensus LogP
2.08
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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