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CAS 96516-31-3 2-CHLORO-3-FLUOROBENZALDEHYDE molecular structure lightbox
CAS RN: 96516-31-3

2-CHLORO-3-FLUOROBENZALDEHYDE

  • Product code: SSC-212025
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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: 1g, 10g, 5g, 25g, 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 6
  • 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 96516-31-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 2 In Stock Shenzhen Inquiry
1g ≥97% 2 In Stock Shenzhen Inquiry
10g -- 2 In Stock Hong Kong Inquiry
10g ≥97% 2 In Stock Beijing Inquiry
5g -- 1 In Stock Shenzhen Inquiry
5g ≥97% 1 In Stock Hong Kong Inquiry
25g -- 0 Out of Stock Beijing Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry
100g -- 0 Out of Stock Beijing Inquiry
100g ≥97% 0 Out of Stock Shanghai Inquiry

96516-31-3 / 2-chloro-3-fluorobenzaldehyde

Standard CAS: 96516-31-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
96516-31-3
Multi CAS
No
Molecular Formula
C7H4CLFO
Molecular Weight
158.560000
Exact Mass
157.993471
InChI
InChI=1S/C7H4ClFO/c8-7-5(4-10)2-1-3-6(7)9/h1-4H
InChIKey
PIZVRLVKXWEMGO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
36.8
TPSA
17.07

LogP / Solubility

WLOGP
2.29
MLOGP
2.01
XLogP3
2.1
Consensus LogP
2.13
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-2.06

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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