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CAS 31719-77-4 3-(Chloromethyl)benzoic acid molecular structure lightbox
CAS RN: 31719-77-4

3-(Chloromethyl)benzoic acid

Product Availability

Choose a grade to view its available package options.

13 package records13 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260610 100g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20260616 25g In stock Shandong, Chongqing Inquiry
Batchno.20250105 500g In stock Shandong, Hebei Inquiry
Batchno.20251207 5g In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260408 100g In stock Inquiry
Batchno.20250812 25g In stock Inquiry
Batchno.20250120 500g In stock Inquiry
Batchno.20260524 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250921 100g In stock Shanghai Inquiry
Batchno.20251222 1kg In stock Shanghai Inquiry
Batchno.20250214 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20260223 500g In stock Shanghai Inquiry
Batchno.20260314 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-137134
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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: 10g, 5g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • 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 31719-77-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >97% 2 In Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Beijing Inquiry

31719-77-4 / 3-(chloromethyl)benzoic acid

Standard CAS: 31719-77-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31719-77-4
Multi CAS
Yes
Molecular Formula
C8H7CLO2
Molecular Weight
170.590000
Exact Mass
170.013457
InChI
InChI=1S/C8H7ClO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H,10,11)
InChIKey
PBSUMBYSVFTMNG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.96
TPSA
37.3

LogP / Solubility

WLOGP
2.12
MLOGP
1.87
XLogP3
2.1
Consensus LogP
2.03
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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)
-2.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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