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CAS 1548-67-0 5-(TRIFLUOROMETHYL)-1H-1,2,3-BENZOTRIAZOLE molecular structure lightbox
CAS RN: 1548-67-0

5-(TRIFLUOROMETHYL)-1H-1,2,3-BENZOTRIAZOLE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250916 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-064139
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1548-67-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1548-67-0 / 5-(trifluoromethyl)-2H-benzotriazole

Standard CAS: 1548-67-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1548-67-0
Multi CAS
No
Molecular Formula
C7H4F3N3
Molecular Weight
187.120000
Exact Mass
187.035732
SMILES
C1=CC2=NNN=C2C=C1C(F)(F)F
InChI
InChI=1S/C7H4F3N3/c8-7(9,10)4-1-2-5-6(3-4)12-13-11-5/h1-3H,(H,11,12,13)
InChIKey
GLSKMRNRRMNAQS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.89
TPSA
41.57

LogP / Solubility

WLOGP
1.98
MLOGP
1.74
XLogP3
1.9
Consensus LogP
1.87
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-2.46

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501

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