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CAS 150517-77-4 3-FLUORO-5-(TRIFLUOROMETHYL)BENZYLAMINE molecular structure lightbox
CAS RN: 150517-77-4

3-FLUORO-5-(TRIFLUOROMETHYL)BENZYLAMINE

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250223 1g In stock Shanghai, Shandong Inquiry
Batchno.20251029 25g Out of stock 8-10 business days Inquiry
Batchno.20250223 5g In stock Shanghai Inquiry
  • Product code: SSC-060455
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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: 25g
  • 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 150517-77-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

150517-77-4 / [3-fluoro-5-(trifluoromethyl)phenyl]methanamine

Standard CAS: 150517-77-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
150517-77-4
Multi CAS
No
Molecular Formula
C8H7F4N
Molecular Weight
193.140000
Exact Mass
193.051462
SMILES
C1=C(C=C(C=C1C(F)(F)F)F)CN
InChI
InChI=1S/C8H7F4N/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-3H,4,13H2
InChIKey
ADHUUMWSWNPEMZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
39.29
TPSA
26.02

LogP / Solubility

WLOGP
2.3
MLOGP
2.03
XLogP3
1.8
Consensus LogP
2.04
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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)
-2.26

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)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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