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CAS 112279-60-4 4-Bromo-2,5-difluoroaniline molecular structure lightbox
CAS RN: 112279-60-4

4-Bromo-2,5-difluoroaniline

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251021 100g Out of stock Inquiry
Batchno.20250531 10g In stock Inquiry
Batchno.20250821 1g In stock Inquiry
Batchno.20250907 25g In stock Inquiry
Batchno.20250506 5g In stock Inquiry
  • Product code: SSC-012729
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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: 5g, 10g, 25g, 100g, 500g
  • Available purity: >98%
  • Inventory rows with stock: 2
  • 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 112279-60-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >98% 5 In Stock Hong Kong Inquiry
10g >98% 4 In Stock Hong Kong Inquiry
25g >98% 0 Out of Stock Shanghai Inquiry
100g >98% 0 Out of Stock Shanghai Inquiry
500g >98% 0 Out of Stock Beijing Inquiry

112279-60-4 / 4-bromo-2,5-difluoroaniline

4-Bromo-2,5-difluoroaniline | DTXSID00378337 | RefChem:290578

Standard CAS: 112279-60-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
112279-60-4
Multi CAS
No
Molecular Formula
C6H4BrF2N
Molecular Weight
208.000000
Exact Mass
206.949520
SMILES
C1=C(C(=CC(=C1F)Br)F)N
InChI
InChI=1S/C6H4BrF2N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2
InChIKey
XOYHFIQPPOJMFK-UHFFFAOYSA-N
Synonyms
4-Bromo-2,5-difluoroaniline DTXSID00378337 RefChem:290578 DTXCID00329364 625-718-7

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.47
TPSA
26.02

LogP / Solubility

WLOGP
2.31
MLOGP
2.03
XLogP3
2.1
Consensus LogP
2.15
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
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)
-2.35

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)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (85.1%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (14.9%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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