CAS RN: 100379-00-8
2,6-Dimethylphenylboronic Acid (contains varying amounts of Anhydride)
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
- Product code: SSC-000921
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: 1g, 5g, 10g, 25g, 100g, 500g
- 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 |
|---|---|---|---|---|
| 1g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 5g | >98% | 5 In Stock | Beijing | Inquiry |
| 10g | >98% | 5 In Stock | Shanghai | Inquiry |
| 25g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 100g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 500g | >98% | 0 Out of Stock | Hong Kong | Inquiry |
100379-00-8 / (2,6-dimethylphenyl)boronic acid
2,6-Dimethylphenylboronic acid | 2,6-Dimethylbenzeneboronic Acid | DTXSID60342610
Basic Information
CAS
100379-00-8
Multi CAS
Yes
Molecular Formula
C8H11BO2
Molecular Weight
149.980000
Exact Mass
150.085210
SMILES
B(C1=C(C=CC=C1C)C)(O)O
InChI
InChI=1S/C8H11BO2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5,10-11H,1-2H3
InChIKey
ZXDTWWZIHJEZOG-UHFFFAOYSA-N
Synonyms
2,6-Dimethylphenylboronic acid
2,6-Dimethylbenzeneboronic Acid
DTXSID60342610
RefChem:445741
DTXCID80293690
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.74
TPSA
40.46
LogP / Solubility
WLOGP
-0.02
MLOGP
-0.02
XLogP3
-0.02
Consensus LogP
-0.02
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-0.78
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.74
Class (SILICOS-IT)
Very 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)
-3.65
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 (88.9%): 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
Customers Also Viewed
-
2,3-Dichlorophenylboronic Acid (contains varying amounts of Anhydride)
- CAS RN: 151169-74-3
- Product Code: SSC-061064
-
3,5-Dimethoxyphenylboronic Acid (contains varying amounts of Anhydride)
- CAS RN: 192182-54-0
- Product Code: SSC-089938
-
2,3-Dimethylphenylboronic Acid (contains varying amounts of Anhydride)
- CAS RN: 183158-34-1
- Product Code: SSC-084739
-
2,5-Difluorophenylboronic Acid (contains varying amounts of Anhydride)
- CAS RN: 193353-34-3
- Product Code: SSC-090737
-
3,5-Bis(trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride)
- CAS RN: 73852-19-4
- Product Code: SSC-183282
-
2,6-Dichlorophenylboronic Acid (contains varying amounts of Anhydride)
- CAS RN: 73852-17-2
- Product Code: SSC-183280
