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CAS 179897-90-6 1-CHLORO-2,6-DIBROMO-4-FLUOROBENZENE molecular structure lightbox
CAS RN: 179897-90-6

1-CHLORO-2,6-DIBROMO-4-FLUOROBENZENE

  • Product code: SSC-080228
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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 179897-90-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 4 In Stock Shanghai Inquiry
10g ≥98% 4 In Stock Hong Kong Inquiry
25g ≥98% 3 In Stock Hong Kong Inquiry
100g ≥98% 1 In Stock Beijing Inquiry

179897-90-6 / 1,3-dibromo-2-chloro-5-fluorobenzene

Standard CAS: 179897-90-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
179897-90-6
Multi CAS
No
Molecular Formula
C6H2Br2ClF
Molecular Weight
288.340000
Exact Mass
287.817530
SMILES
C1=C(C=C(C(=C1Br)Cl)Br)F
InChI
InChI=1S/C6H2Br2ClF/c7-4-1-3(10)2-5(8)6(4)9/h1-2H
InChIKey
PZKDJJMHRYNBOR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
46.81
TPSA
0.0000

LogP / Solubility

WLOGP
4
MLOGP
3.53
XLogP3
4
Consensus LogP
3.84
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.64

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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