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CAS 588-09-0 2-Chloro-5-(trifluoroMethoxy)nitrobenzene molecular structure lightbox
CAS RN: 588-09-0

2-Chloro-5-(trifluoroMethoxy)nitrobenzene

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251212 100g In stock Shanghai Inquiry
Batchno.20260228 1kg In stock Shanghai Inquiry
Batchno.20250916 25g In stock Shanghai Inquiry
Batchno.20251029 500g In stock Shanghai Inquiry
  • Product code: SSC-167122
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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, 25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • 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 588-09-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 2 In Stock Shanghai Inquiry
10g >95% 0 Out of Stock Shanghai Inquiry
25g >95% 0 Out of Stock Hong Kong Inquiry
100g >95% 0 Out of Stock Hong Kong Inquiry

588-09-0 / 1-chloro-2-nitro-4-(trifluoromethoxy)benzene

Standard CAS: 588-09-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
588-09-0
Multi CAS
No
Molecular Formula
C7H3CLF3NO3
Molecular Weight
241.550000
Exact Mass
240.975355
InChI
InChI=1S/C7H3ClF3NO3/c8-5-2-1-4(15-7(9,10)11)3-6(5)12(13)14/h1-3H
InChIKey
WMEHRJJXMQRTOU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
44.79
TPSA
52.37

LogP / Solubility

WLOGP
3.15
MLOGP
2.77
XLogP3
3.5
Consensus LogP
3.14
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
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)
-1.96

Drug-likeness / Medicinal Chemistry

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

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