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
- Available purity: ≥98%
- Inventory rows with stock: 8
- 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 | -- | 5 In Stock | Shenzhen | Inquiry |
| 5g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 10g | -- | 5 In Stock | Beijing | Inquiry |
| 10g | ≥98% | 5 In Stock | Hong Kong | Inquiry |
| 25g | -- | 5 In Stock | Hong Kong | Inquiry |
| 25g | ≥98% | 5 In Stock | Hong Kong | Inquiry |
| 100g | -- | 5 In Stock | Shenzhen | Inquiry |
| 100g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 500g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 500g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
1427-07-2 / 2-fluoro-1-methyl-4-nitrobenzene
Basic Information
CAS
1427-07-2
Multi CAS
No
Molecular Formula
C7H6FNO2
Molecular Weight
155.130000
Exact Mass
155.038257
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])F
InChI
InChI=1S/C7H6FNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3
InChIKey
WIQISTBTOQNVCE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
37.79
TPSA
43.14
LogP / Solubility
WLOGP
2.04
MLOGP
1.79
XLogP3
2.7
Consensus LogP
2.18
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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)
-2.22
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)
Flammable
Irritant
Signal
Danger
GHS Hazard Statements
H228 (85.1%): Flammable solid [Danger Flammable solids]
H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (97.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (95.7%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (95.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P240, P241, 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, P370+P378, P403+P233, P405, and P501
