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CAS 400-99-7 2-Nitro-4-(trifluoromethyl)phenol molecular structure lightbox
CAS RN: 400-99-7

2-Nitro-4-(trifluoromethyl)phenol

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260323 1ml In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250630 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-147860
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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: 1g, 5g, 10g, 25g
  • Available purity: >97%
  • 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 400-99-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 2 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

400-99-7 / 2-nitro-4-(trifluoromethyl)phenol

Standard CAS: 400-99-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
400-99-7
Multi CAS
Yes
Molecular Formula
C7F3H4NO3
Molecular Weight
207.110000
Exact Mass
207.014327
InChI
InChI=1S/C7H4F3NO3/c8-7(9,10)4-1-2-6(12)5(3-4)11(13)14/h1-3,12H
InChIKey
XZEDEVRSUANQEM-UHFFFAOYSA-N

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
2.3
Consensus LogP
2.22
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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