CAS RN: 1003-98-1
2-Bromo-4-fluoroaniline
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
- Product code: SSC-000772
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: ≥98%
- Inventory rows with stock: 10
- 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 | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 10g | -- | 5 In Stock | Shanghai | Inquiry |
| 10g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 25g | -- | 5 In Stock | Shenzhen | Inquiry |
| 25g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 100g | -- | 5 In Stock | Shenzhen | Inquiry |
| 100g | ≥98% | 5 In Stock | Hong Kong | Inquiry |
| 500g | -- | 1 In Stock | Shenzhen | Inquiry |
| 500g | ≥98% | 1 In Stock | Beijing | Inquiry |
| 1000g | ≥98% | 1 In Stock | Beijing | Inquiry |
| 1000g | -- | 0 Out of Stock | Hong Kong | Inquiry |
1003-98-1 / 2-bromo-4-fluoroaniline
4-Bromo-2-fluoroaniline | Benzenamine, 4-bromo-2-fluoro- | EINECS 206-685-4
Basic Information
CAS
1003-98-1
Multi CAS
Yes
Molecular Formula
C6H5BrFN
Molecular Weight
190.010000
Exact Mass
188.958940
SMILES
C1=CC(=C(C=C1F)Br)N
InChI
InChI=1S/C6H5BrFN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2
InChIKey
YLMFXCIATJJKQL-UHFFFAOYSA-N
Synonyms
4-Bromo-2-fluoroaniline
Benzenamine, 4-bromo-2-fluoro-
EINECS 206-685-4
DTXSID90190141
RefChem:98077
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.51
TPSA
26.02
LogP / Solubility
WLOGP
2.17
MLOGP
1.91
XLogP3
2.1
Consensus LogP
2.06
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-2.34
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 (18.8%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (16.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (16.7%): 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
