CAS RN: 100367-37-1
3-AMINO-4-BROMOPHENOL
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
- Product code: SSC-000874
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: 0.25g, 1g, 5g, 10g, 25g, 100g
- Available purity: >98%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 0.25g | >98% | 5 In Stock | Beijing | Inquiry |
| 1g | >98% | 5 In Stock | Beijing | Inquiry |
| 5g | >98% | 2 In Stock | Hong Kong | Inquiry |
| 10g | >98% | 2 In Stock | Beijing | Inquiry |
| 25g | >98% | 2 In Stock | Shenzhen | Inquiry |
| 100g | >98% | 2 In Stock | Hong Kong | Inquiry |
100367-37-1 / 3-amino-4-bromophenol
3-Amino-4-bromophenol | DTXSID40641057 | RefChem:92894
Basic Information
CAS
100367-37-1
Multi CAS
Yes
Molecular Formula
C6H6BrNO
Molecular Weight
188.020000
Exact Mass
186.963280
SMILES
C1=CC(=C(C=C1O)N)Br
InChI
InChI=1S/C6H6BrNO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H,8H2
InChIKey
JJNOHJJIVAVDLP-UHFFFAOYSA-N
Synonyms
3-Amino-4-bromophenol
DTXSID40641057
RefChem:92894
DTXCID60591808
692-181-3
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.22
TPSA
46.25
LogP / Solubility
WLOGP
1.74
MLOGP
1.53
XLogP3
1.8
Consensus LogP
1.69
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
Class (SILICOS-IT)
Moderately 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)
-2.63
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
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
