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CAS 111721-75-6 2-Bromo-3-fluoroaniline molecular structure lightbox
CAS RN: 111721-75-6

2-Bromo-3-fluoroaniline

Product Availability

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7 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250726 100g Out of stock Inquiry
Batchno.20251105 10g Out of stock Inquiry
Batchno.20260523 1g In stock Inquiry
Batchno.20250215 250mg In stock Inquiry
Batchno.20260111 25g Out of stock Inquiry
Batchno.20251230 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251107 250mg / 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-012288
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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, 10g, 25g, 100g, 500g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 111721-75-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 1 In Stock Hong Kong Inquiry
5g >97% 1 In Stock Beijing Inquiry
10g >97% 1 In Stock Beijing Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry
100g >97% 0 Out of Stock Beijing Inquiry
500g >97% 0 Out of Stock Shanghai Inquiry

111721-75-6 / 2-bromo-3-fluoroaniline

2-Bromo-3-fluoroaniline | DTXSID10563838 | RefChem:85667

Standard CAS: 111721-75-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
111721-75-6
Multi CAS
No
Molecular Formula
C6H5BrFN
Molecular Weight
190.010000
Exact Mass
188.958940
SMILES
C1=CC(=C(C(=C1)F)Br)N
InChI
InChI=1S/C6H5BrFN/c7-6-4(8)2-1-3-5(6)9/h1-3H,9H2
InChIKey
XZRSXRUYZXBTGD-UHFFFAOYSA-N
Synonyms
2-Bromo-3-fluoroaniline DTXSID10563838 RefChem:85667 DTXCID20514614 676-172-1

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
Consensus LogP
2.03
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)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H315 (18.2%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (18.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H331 (81.8%): Toxic if inhaled [Danger Acute toxicity, inhalation] H335 (18.2%): 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, P316, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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