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CAS 176673-72-6 4-Chloro-3,5-difluorobromobenzene molecular structure lightbox
CAS RN: 176673-72-6

4-Chloro-3,5-difluorobromobenzene

  • Product code: SSC-077330
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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: >97%
  • Inventory rows with stock: 4
  • 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 176673-72-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Beijing Inquiry
10g >97% 5 In Stock Shanghai Inquiry
25g >97% 5 In Stock Hong Kong Inquiry
100g >97% 4 In Stock Shenzhen Inquiry
500g >97% 0 Out of Stock Hong Kong Inquiry

176673-72-6 / 5-bromo-2-chloro-1,3-difluorobenzene

Standard CAS: 176673-72-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
176673-72-6
Multi CAS
No
Molecular Formula
C6H2BrClF2
Molecular Weight
227.430000
Exact Mass
225.899650
SMILES
C1=C(C=C(C(=C1F)Cl)F)Br
InChI
InChI=1S/C6H2BrClF2/c7-3-1-4(9)6(8)5(10)2-3/h1-2H
InChIKey
SWELJVAWQMCJLG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
39.07
TPSA
0.0000

LogP / Solubility

WLOGP
3.38
MLOGP
2.98
XLogP3
3.4
Consensus LogP
3.25
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
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)
-1.71

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 (100%): 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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