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CAS 320-88-7 1-Nitro-2,5-bis(trifluoromethyl)benzene molecular structure lightbox
CAS RN: 320-88-7

1-Nitro-2,5-bis(trifluoromethyl)benzene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250405 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-137468
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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: 100g, 1g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 320-88-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g >97% 2 In Stock Beijing Inquiry
1g >97% 1 In Stock Shanghai Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Shanghai Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry

320-88-7 / 1-nitro-3,5-bis(trifluoromethyl)benzene

Standard CAS: 320-88-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
320-88-7
Multi CAS
Yes
Molecular Formula
C8F6H3NO2
Molecular Weight
259.100000
Exact Mass
259.006797
InChI
InChI=1S/C8H3F6NO2/c9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)15(16)17/h1-3H
InChIKey
GMUWJDVVXLBMEZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
43.1
TPSA
43.14

LogP / Solubility

WLOGP
3.63
MLOGP
3.2
XLogP3
4.1
Consensus LogP
3.64
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
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)
-1.72

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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