[email protected]
CAS 197520-71-1 2,3,4-Trifluoro-5-Nitro-Benzoic Acid molecular structure lightbox
CAS RN: 197520-71-1

2,3,4-Trifluoro-5-Nitro-Benzoic Acid

  • Product code: SSC-093149
GET A QUOTE
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, 1000g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 197520-71-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 1 In Stock Shanghai Inquiry
1g >97% 1 In Stock Shenzhen Inquiry
5g -- 1 In Stock Shanghai Inquiry
5g >97% 1 In Stock Shanghai Inquiry
10g -- 0 Out of Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Beijing Inquiry
25g -- 0 Out of Stock Shanghai Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry
1000g -- 0 Out of Stock Shenzhen Inquiry

197520-71-1 / 2,3,4-trifluoro-5-nitrobenzoic acid

Standard CAS: 197520-71-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
197520-71-1
Multi CAS
No
Molecular Formula
C7H2F3NO4
Molecular Weight
221.090000
Exact Mass
220.993592
SMILES
C1=C(C(=C(C(=C1[N+](=O)[O-])F)F)F)C(=O)O
InChI
InChI=1S/C7H2F3NO4/c8-4-2(7(12)13)1-3(11(14)15)5(9)6(4)10/h1H,(H,12,13)
InChIKey
BCMIOBTWFPSPJJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.93
TPSA
80.44

LogP / Solubility

WLOGP
1.71
MLOGP
1.51
XLogP3
1.6
Consensus LogP
1.61
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately 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)
-2.85

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H314 (19%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (71.4%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (19%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (71.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (90.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us