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CAS 2905-65-9 Methyl 3-chlorobenzoate molecular structure lightbox
CAS RN: 2905-65-9

Methyl 3-chlorobenzoate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251025 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-131261
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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: 100g
  • 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 2905-65-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

2905-65-9 / methyl 3-chlorobenzoate

Standard CAS: 2905-65-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2905-65-9
Multi CAS
No
Molecular Formula
C8H7CLO2
Molecular Weight
170.590000
Exact Mass
170.013457
InChI
InChI=1S/C8H7ClO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3
InChIKey
XRDRKVPNHIWTBX-UHFFFAOYSA-N

Physical Properties

Melting Point
21 °C
Boiling Point
231 °C
Physical Description
Mp = 21 deg C; [ChemIDplus] Colorless to brown liquid; mp = 20-22 deg C
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
42.79
TPSA
26.3

LogP / Solubility

WLOGP
2.13
MLOGP
1.87
XLogP3
2.9
Consensus LogP
2.3
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately 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)
-2.25

Drug-likeness / Medicinal Chemistry

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

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