CAS RN: 13737-36-5
4-(Bromomethyl)phenylacetic Acid
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-046908
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, 25g, 10g, 100g, 1000g
- Available purity: ≥95%, ≥98%
- Inventory rows with stock: 18
- 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 | -- | 5 In Stock | Shenzhen | Inquiry |
| 1g | -- | 5 In Stock | Shanghai | Inquiry |
| 1g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 1g | ≥98% | 5 In Stock | Hong Kong | Inquiry |
| 5g | -- | 5 In Stock | Shanghai | Inquiry |
| 5g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 25g | -- | 4 In Stock | Beijing | Inquiry |
| 25g | ≥95% | 4 In Stock | Shanghai | Inquiry |
| 10g | -- | 3 In Stock | Hong Kong | Inquiry |
| 10g | ≥95% | 3 In Stock | Shanghai | Inquiry |
| 5g | ≥95% | 2 In Stock | Hong Kong | Inquiry |
| 10g | -- | 2 In Stock | Hong Kong | Inquiry |
| 10g | ≥98% | 2 In Stock | Shanghai | Inquiry |
| 25g | -- | 2 In Stock | Beijing | Inquiry |
| 25g | ≥98% | 2 In Stock | Shanghai | Inquiry |
| 100g | -- | 2 In Stock | Shanghai | Inquiry |
| 100g | ≥98% | 2 In Stock | Beijing | Inquiry |
| 5g | -- | 1 In Stock | Shenzhen | Inquiry |
| 100g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
| 1000g | -- | 0 Out of Stock | Shenzhen | Inquiry |
13737-36-5 / 2-[4-(bromomethyl)phenyl]acetic acid
Basic Information
CAS
13737-36-5
Multi CAS
No
Molecular Formula
C9H9BrO2
Molecular Weight
229.070000
Exact Mass
227.978590
SMILES
C1=CC(=CC=C1CC(=O)O)CBr
InChI
InChI=1S/C9H9BrO2/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5-6H2,(H,11,12)
InChIKey
WCOCCXZFEJGHTC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.41
TPSA
37.3
LogP / Solubility
WLOGP
2.21
MLOGP
1.95
XLogP3
2.1
Consensus LogP
2.09
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly 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)
-2.55
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
Health Hazard
Signal
Danger
GHS Hazard Statements
H315 (90%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (90%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H334 (82%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
H335 (88%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501
