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CAS 202865-61-0 4-Bromo-3,5-difluoroanisole molecular structure lightbox
CAS RN: 202865-61-0

4-Bromo-3,5-difluoroanisole

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250408 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-095517
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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
  • Available purity: >97%
  • 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 202865-61-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 4 In Stock Shenzhen Inquiry
5g >97% 1 In Stock Shanghai Inquiry
10g >97% 0 Out of Stock Beijing Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry

202865-61-0 / 2-bromo-1,3-difluoro-5-methoxybenzene

Standard CAS: 202865-61-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
202865-61-0
Multi CAS
No
Molecular Formula
C7H5BrF2O
Molecular Weight
223.010000
Exact Mass
221.949180
SMILES
COC1=CC(=C(C(=C1)F)Br)F
InChI
InChI=1S/C7H5BrF2O/c1-11-4-2-5(9)7(8)6(10)3-4/h2-3H,1H3
InChIKey
GEJMNTXYFBBTFH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
40.61
TPSA
9.23

LogP / Solubility

WLOGP
2.74
MLOGP
2.41
XLogP3
2.8
Consensus LogP
2.65
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
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)
-2.14

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
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (16.7%): 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, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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