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CAS 657-02-3 3,4-DICHLORO-5-NITROBENZOTRIFLUORIDE molecular structure lightbox
CAS RN: 657-02-3

3,4-DICHLORO-5-NITROBENZOTRIFLUORIDE

Product Availability

Choose a grade to view its available package options.

9 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250303 100g In stock Inquiry
Batchno.20260228 1g In stock Inquiry
Batchno.20251206 25g In stock Inquiry
Batchno.20250316 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260424 100g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260612 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250719 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250116 500g Out of stock Inquiry
Batchno.20260109 5g In stock Tianjin Inquiry
  • Product code: SSC-175330
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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: 1g, 5g, 10g, 25g
  • 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 657-02-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry
25g >97% 0 Out of Stock Beijing Inquiry

657-02-3 / 1,5-dichloro-2-nitro-4-(trifluoromethyl)benzene

Standard CAS: 657-02-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
657-02-3
Multi CAS
Yes
Molecular Formula
C7H2CL2F3NO2
Molecular Weight
259.990000
Exact Mass
258.941468
InChI
InChI=1S/C7H2Cl2F3NO2/c8-4-2-5(9)6(13(14)15)1-3(4)7(10,11)12/h1-2H
InChIKey
VLVNHMVSVDVAOA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
48.12
TPSA
43.14

LogP / Solubility

WLOGP
3.92
MLOGP
3.46
XLogP3
3.9
Consensus LogP
3.76
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.52

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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