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CAS 2735-06-0 1,2-bis(chloroMethyl)-4-Methylbenzene molecular structure lightbox
CAS RN: 2735-06-0

1,2-bis(chloroMethyl)-4-Methylbenzene

  • Product code: SSC-126489
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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 2735-06-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2735-06-0 / 1,2-bis(chloromethyl)-4-methylbenzene

Standard CAS: 2735-06-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2735-06-0
Multi CAS
No
Molecular Formula
C9H10Cl2
Molecular Weight
189.080000
Exact Mass
188.015956
InChI
InChI=1S/C9H10Cl2/c1-7-2-3-8(5-10)9(4-7)6-11/h2-4H,5-6H2,1H3
InChIKey
DQDNYZRXYYFVAT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
Molar refractivity
50.29
TPSA
0.0000

LogP / Solubility

WLOGP
3.47
MLOGP
3.05
XLogP3
3.1
Consensus LogP
3.21
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly 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)
-1.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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