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CAS 74-11-3 4-Chlorobenzoic Acid molecular structure lightbox
CAS RN: 74-11-3

4-Chlorobenzoic Acid

  • Product code: SSC-183414
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 25g, 100g, 500g, 1000g
  • Available purity: ≥98%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 74-11-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 5 In Stock Shanghai Inquiry
100g ≥98% 5 In Stock Beijing Inquiry
500g ≥98% 5 In Stock Hong Kong Inquiry
1000g ≥98% 0 Out of Stock Shanghai Inquiry

74-11-3 / 4-chlorobenzoic acid

Standard CAS: 74-11-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
74-11-3
Multi CAS
Yes
Molecular Formula
C7H5CLO2
Molecular Weight
156.560000
Exact Mass
155.997807
InChI
InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChIKey
XRHGYUZYPHTUJZ-UHFFFAOYSA-N

Physical Properties

Melting Point
469 °F (NTP, 1992) 243 °C MP: 44 °C /p-Chlorobenzoic acid, methyl ester/
Boiling Point
Sublimes (NTP, 1992)
Density
1.541 at 75 °F (NTP, 1992) - Denser than water; will sink 1.5 g/cm³ Relative density of the vapour/air-mixture at 20 °C (air = 1): 1
Physical Description
Triclinic crystals or light fluffy white powder. (NTP, 1992) White odorless solid; [ICSC] Off-white or white powder; ODOURLESS WHITE SOLID IN VARIOUS FORMS.
Appearance
Triclinic prisms from alcohol and ether
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.41
TPSA
37.3

LogP / Solubility

WLOGP
2.04
MLOGP
1.79
XLogP3
2.7
Consensus LogP
2.18
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-2.23

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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