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CAS 144584-65-6 1-Bromo-3-chloro-2-fluorobenzene molecular structure lightbox
CAS RN: 144584-65-6

1-Bromo-3-chloro-2-fluorobenzene

  • Product code: SSC-055748
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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
  • Available purity: ≥98%
  • 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 144584-65-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 5 In Stock Beijing Inquiry
10g ≥98% 5 In Stock Shenzhen Inquiry
25g ≥98% 5 In Stock Shenzhen Inquiry
100g ≥98% 5 In Stock Shanghai Inquiry

144584-65-6 / 1-bromo-3-chloro-2-fluorobenzene

Standard CAS: 144584-65-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
144584-65-6
Multi CAS
No
Molecular Formula
C6H3BrClF
Molecular Weight
209.440000
Exact Mass
207.909070
SMILES
C1=CC(=C(C(=C1)Br)F)Cl
InChI
InChI=1S/C6H3BrClF/c7-4-2-1-3-5(8)6(4)9/h1-3H
InChIKey
DRNWNTAANHEQMK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
39.11
TPSA
0.0000

LogP / Solubility

WLOGP
3.24
MLOGP
2.85
XLogP3
3.3
Consensus LogP
3.13
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
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)
-1.7

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 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (75%): 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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