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CAS 88-30-2 4-Nitro-3-(trifluoromethyl)phenol molecular structure lightbox
CAS RN: 88-30-2

4-Nitro-3-(trifluoromethyl)phenol

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250806 1g In stock Shanghai Inquiry
Batchno.20260118 5g In stock Chongqing Inquiry
  • Product code: SSC-198408
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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
  • 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 88-30-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

88-30-2 / 4-nitro-3-(trifluoromethyl)phenol

Standard CAS: 88-30-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
88-30-2
Multi CAS
Yes
Molecular Formula
C7F3H4NO3
Molecular Weight
207.110000
Exact Mass
207.014327
InChI
InChI=1S/C7H4F3NO3/c8-7(9,10)5-3-4(12)1-2-6(5)11(13)14/h1-3,12H
InChIKey
ZEFMBAFMCSYJOO-UHFFFAOYSA-N

Physical Properties

Melting Point
76 °C
Physical Description
Liquid Yellow to orange solid; [HSDB] Yellow to pale brown solid
Appearance
Yellow to orange crystalline solid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.76
TPSA
63.37

LogP / Solubility

WLOGP
2.32
MLOGP
2.04
XLogP3
2.8
Consensus LogP
2.39
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
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)
-2.34

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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