CAS RN: 114772-54-2
4′-Bromomethyl-2-cyanobiphenyl
Product Availability
Choose a grade to view its available package options.
12 package records11 with current stock4 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250304 | 25g / 100g / 500g / 2.5kg | Confirm by inquiry | Shandong, Hebei, Shanghai | Inquiry |
- Product code: SSC-014502
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: ≥97%
- 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 | Hong Kong | Inquiry |
| 5g | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 10g | -- | 5 In Stock | Hong Kong | Inquiry |
| 10g | ≥97% | 5 In Stock | Shanghai | Inquiry |
| 25g | -- | 5 In Stock | Beijing | Inquiry |
| 25g | ≥97% | 5 In Stock | Shanghai | Inquiry |
| 100g | -- | 5 In Stock | Hong Kong | Inquiry |
| 100g | ≥97% | 5 In Stock | Shenzhen | Inquiry |
| 500g | -- | 0 Out of Stock | Hong Kong | Inquiry |
| 500g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
| 1000g | -- | 0 Out of Stock | Hong Kong | Inquiry |
114772-54-2 / 2-[4-(bromomethyl)phenyl]benzonitrile
4'-Bromomethyl-2-cyanobiphenyl | 4'-(bromomethyl)-[1,1'-biphenyl]-2-carbonitrile | [1,1'-Biphenyl]-2-carbonitrile, 4'-(bromomethyl)-
Basic Information
CAS
114772-54-2
Multi CAS
Yes
Molecular Formula
C14H10BrN
Molecular Weight
272.140000
Exact Mass
270.999660
SMILES
C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CBr
InChI
InChI=1S/C14H10BrN/c15-9-11-5-7-12(8-6-11)14-4-2-1-3-13(14)10-16/h1-8H,9H2
InChIKey
LFFIEVAMVPCZNA-UHFFFAOYSA-N
Synonyms
4'-Bromomethyl-2-cyanobiphenyl
4'-(bromomethyl)-[1,1'-biphenyl]-2-carbonitrile
[1,1'-Biphenyl]-2-carbonitrile, 4'-(bromomethyl)-
4'-(Bromomethyl)-2-cyanobiphenyl
2-(4-bromomethylphenyl)benzonitrile
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
69.22
TPSA
23.79
LogP / Solubility
WLOGP
4.12
MLOGP
3.63
XLogP3
3.8
Consensus LogP
3.85
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Environmental Hazard
Health Hazard
Signal
Warning
GHS Hazard Statements
H317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H400 (90.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410 (92.9%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501
P203, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P318, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P405, and P501
