CAS RN: 116632-39-4
5-Bromo-2-iodotoluene
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.20251019 | 25g / 100g / 500g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-016574
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: >97%
- 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 | >97% | 0 Out of Stock | Hong Kong | Inquiry |
116632-39-4 / 4-bromo-1-iodo-2-methylbenzene
5-Bromo-2-iodotoluene | DTXSID60369180 | RefChem:301681
Basic Information
CAS
116632-39-4
Multi CAS
No
Molecular Formula
C7H6BrI
Molecular Weight
296.930000
Exact Mass
295.869760
SMILES
CC1=C(C=CC(=C1)Br)I
InChI
InChI=1S/C7H6BrI/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChIKey
GHTUADBHTFHMNI-UHFFFAOYSA-N
Synonyms
5-Bromo-2-iodotoluene
DTXSID60369180
RefChem:301681
DTXCID60320216
629-570-4
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
Molar refractivity
51.6
TPSA
0.0000
LogP / Solubility
WLOGP
3.36
MLOGP
2.97
XLogP3
3.6
Consensus LogP
3.31
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly 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)
-2.14
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (95.9%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (95.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (93.9%): 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
