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CAS 54187-96-1 1-(Chloromethyl)-1H-benzotriazole molecular structure lightbox
CAS RN: 54187-96-1

1-(Chloromethyl)-1H-benzotriazole

Product Availability

Choose a grade to view its available package options.

6 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251021 1g In stock Inquiry
Batchno.20251215 25g Out of stock Inquiry
Batchno.20250106 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260422 1g In stock Shandong Inquiry
Batchno.20260608 25g Out of stock 5-7 business days Inquiry
Batchno.20260403 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-161782
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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, 1g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 4
  • 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 54187-96-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 4 In Stock Beijing Inquiry
5g ≥98% 3 In Stock Beijing Inquiry
25g ≥98% 3 In Stock Beijing Inquiry
1g ≥98% 1 In Stock Shanghai Inquiry
100g ≥98% 0 Out of Stock Beijing Inquiry

54187-96-1 / 1-(chloromethyl)benzotriazole

Standard CAS: 54187-96-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54187-96-1
Multi CAS
No
Molecular Formula
C7H6CLN3
Molecular Weight
167.590000
Exact Mass
167.025025
InChI
InChI=1S/C7H6ClN3/c8-5-11-7-4-2-1-3-6(7)9-10-11/h1-4H,5H2
InChIKey
VSEROABGEVRIRY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
43.38
TPSA
30.71

LogP / Solubility

WLOGP
1.63
MLOGP
1.43
XLogP3
1.9
Consensus LogP
1.65
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59

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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