[email protected]
CAS 105942-10-7 4-CYANO-2-FLUOROBENZALDEHYDE molecular structure lightbox
CAS RN: 105942-10-7

4-CYANO-2-FLUOROBENZALDEHYDE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250916 5g / 10g / 25g / 100g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-007585
GET A QUOTE
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: 5g, 1g, 10g, 25g, 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 105942-10-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 5 In Stock Shanghai Inquiry
1g ≥95% 4 In Stock Beijing Inquiry
10g ≥95% 3 In Stock Beijing Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry
100g ≥95% 0 Out of Stock Hong Kong Inquiry

105942-10-7 / 3-fluoro-4-formylbenzonitrile

3-fluoro-4-formylbenzonitrile | RefChem:501747 | 690-061-5

Standard CAS: 105942-10-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
105942-10-7
Multi CAS
Yes
Molecular Formula
C8H4FNO
Molecular Weight
149.120000
Exact Mass
149.027692
SMILES
C1=CC(=C(C=C1C#N)F)C=O
InChI
InChI=1S/C8H4FNO/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3,5H
InChIKey
QXHUSGWCFSXQMF-UHFFFAOYSA-N
Synonyms
3-fluoro-4-formylbenzonitrile RefChem:501747 690-061-5 4-Cyano-2-fluorobenzaldehyde 2-FLUORO-4-CYANOBENZALDEHYDE

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
36.5
TPSA
40.86

LogP / Solubility

WLOGP
1.51
MLOGP
1.32
XLogP3
1.2
Consensus LogP
1.34
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
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)
-2.56

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)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301+H311+H331 (25%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us