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CAS 84613-97-8 2.3-DICHLOROBENZOTRICHLORIDE molecular structure lightbox
CAS RN: 84613-97-8

2.3-DICHLOROBENZOTRICHLORIDE

  • Product code: SSC-192207
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 84613-97-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

84613-97-8 / 1,2-dichloro-3-(trichloromethyl)benzene

Standard CAS: 84613-97-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
84613-97-8
Multi CAS
Yes
Molecular Formula
C7H3CL5
Molecular Weight
264.400000
Exact Mass
263.864788
InChI
InChI=1S/C7H3Cl5/c8-5-3-1-2-4(6(5)9)7(10,11)12/h1-3H
InChIKey
GKGPLSQWIBJJPC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Molar refractivity
55.7
TPSA
0.0000

LogP / Solubility

WLOGP
4.82
MLOGP
4.25
XLogP3
4.8
Consensus LogP
4.62
Log S (ESOL)
-4.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.38
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)
-0.91

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

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