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CAS 51336-95-9 2-Chloro-3′,4′-difluoroacetophenone molecular structure lightbox
CAS RN: 51336-95-9

2-Chloro-3′,4′-difluoroacetophenone

  • Product code: SSC-158189
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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: 5g, 10g, 1g, 25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 51336-95-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 5 In Stock Beijing Inquiry
10g >95% 5 In Stock Shenzhen Inquiry
1g >95% 4 In Stock Hong Kong Inquiry
25g >95% 2 In Stock Beijing Inquiry
100g >95% 0 Out of Stock Beijing Inquiry

51336-95-9 / 2-chloro-1-(3,4-difluorophenyl)ethanone

Standard CAS: 51336-95-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51336-95-9
Multi CAS
No
Molecular Formula
C8H5CLF2O
Molecular Weight
190.570000
Exact Mass
189.999699
InChI
InChI=1S/C8H5ClF2O/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3H,4H2
InChIKey
VMEDAWUIKFAFJQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
41.41
TPSA
17.07

LogP / Solubility

WLOGP
2.39
MLOGP
2.1
XLogP3
2.6
Consensus LogP
2.36
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
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)
-2.19

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

Applications of CAS 51336-95-9

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 51336-95-9 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Physical & Chemical Properties

IUPAC Name2-chloro-1-(3,4-difluorophenyl)ethanone

Safety Information (GHS)

Pictogram(s): GHS05, GHS06, GHS07, GHS08. Signal word: Danger.

Precautionary statements: P233, P234, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P363, P390, P403, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Request the SDS (Safety Data Sheet) for full hazard and safety documentation.

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.

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