CAS RN: 105-07-7
4-Formylbenzonitrile
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250319 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Chongqing, Guangdong, Hebei | Inquiry |
- Product code: SSC-006761
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, 10g, 25g, 100g, 500g, 1000g
- Available purity: >98%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 25g | >98% | 5 In Stock | Shanghai | Inquiry |
| 100g | >98% | 1 In Stock | Beijing | Inquiry |
| 500g | >98% | 1 In Stock | Shanghai | Inquiry |
| 1000g | >98% | 0 Out of Stock | Shenzhen | Inquiry |
105-07-7 / 4-formylbenzonitrile
Basic Information
CAS
105-07-7
Multi CAS
No
Molecular Formula
C8H5NO
Molecular Weight
131.130000
Exact Mass
131.037114
SMILES
C1=CC(=CC=C1C=O)C#N
InChI
InChI=1S/C8H5NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,6H
InChIKey
WZWIQYMTQZCSKI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
36.54
TPSA
40.86
LogP / Solubility
WLOGP
1.37
MLOGP
1.2
XLogP3
1.2
Consensus LogP
1.26
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
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)
-2.55
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (89.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (17%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (17%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (91.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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