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CAS 672-65-1 (1-Chloroethyl)benzene molecular structure lightbox
CAS RN: 672-65-1

(1-Chloroethyl)benzene

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250526 100ml In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250430 1ml In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20250406 25ml In stock Shanghai, Shandong Inquiry
Batchno.20250314 500ml In stock Shanghai Inquiry
Batchno.20250818 5ml In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-176840
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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: 25g
  • Available purity: ≥97%
  • 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 672-65-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

672-65-1 / 1-chloroethylbenzene

Standard CAS: 672-65-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
672-65-1
Multi CAS
No
Molecular Formula
C8H9CL
Molecular Weight
140.610000
Exact Mass
140.039278
InChI
InChI=1S/C8H9Cl/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3
InChIKey
GTLWADFFABIGAE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
Molar refractivity
40.71
TPSA
0.0000

LogP / Solubility

WLOGP
2.99
MLOGP
2.62
XLogP3
2.7
Consensus LogP
2.77
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.17
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)
-1.46

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
2

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