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CAS 146829-56-3 2-AMINO-5-FLUOROBENZALDEHYDE molecular structure lightbox
CAS RN: 146829-56-3

2-AMINO-5-FLUOROBENZALDEHYDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260316 50mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-057743
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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 146829-56-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

146829-56-3 / 2-amino-5-fluorobenzaldehyde

Standard CAS: 146829-56-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
146829-56-3
Multi CAS
No
Molecular Formula
C7H6FNO
Molecular Weight
139.130000
Exact Mass
139.043342
SMILES
C1=CC(=C(C=C1F)C=O)N
InChI
InChI=1S/C7H6FNO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H,9H2
InChIKey
SGCVNTNJULWFDC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.2
TPSA
43.09

LogP / Solubility

WLOGP
1.22
MLOGP
1.07
XLogP3
1.5
Consensus LogP
1.26
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
Class (SILICOS-IT)
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)
-2.7

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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