CAS RN: 83-66-9
4-tert-Butyl-3-methoxy-2,6-dinitrotoluene
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.20251121 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Chongqing | Inquiry |
- Product code: SSC-190990
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: ≥98%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
83-66-9 / 1-tert-butyl-2-methoxy-4-methyl-3,5-dinitrobenzene
Basic Information
CAS
83-66-9
Multi CAS
Yes
Molecular Formula
C12H16N2O5
Molecular Weight
268.270000
Exact Mass
268.105922
InChI
InChI=1S/C12H16N2O5/c1-7-9(13(15)16)6-8(12(2,3)4)11(19-5)10(7)14(17)18/h6H,1-5H3
InChIKey
SUAUILGSCPYJCS-UHFFFAOYSA-N
Physical Properties
Melting Point
183 to 187 °F (NTP, 1992)
85 °C
Boiling Point
275 °F at 16 mmHg (NTP, 1992)
185 °C at 16 mm Hg
Physical Description
Musk ambrette is a pale yellow liquid. Insoluble in water. (NTP, 1992)
Pale yellow solid with a heavy floral-musky odor; [HSDB] Yellow solid
Appearance
Pale yellow leaves from alcohol
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
69.74
TPSA
95.51
LogP / Solubility
WLOGP
3.12
MLOGP
2.75
XLogP3
3.6
Consensus LogP
3.16
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
