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CAS 106809-14-7 2,4-Dichloro-5-fluoro-3-nitrobenzoic acid molecular structure lightbox
CAS RN: 106809-14-7

2,4-Dichloro-5-fluoro-3-nitrobenzoic acid

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260312 100g In stock Inquiry
Batchno.20250313 10g In stock Inquiry
Batchno.20260630 25g In stock Inquiry
Batchno.20260115 500g In stock Inquiry
Batchno.20250328 5g In stock Inquiry
  • Product code: SSC-008318
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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: 5g, 10g, 25g, 100g, 500g
  • 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 106809-14-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 2 In Stock Beijing Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry
100g >97% 0 Out of Stock Shenzhen Inquiry
500g >97% 0 Out of Stock Hong Kong Inquiry

106809-14-7 / 2,4-dichloro-5-fluoro-3-nitrobenzoic acid

2,4-Dichloro-5-fluoro-3-nitrobenzoic acid | DTXSID10370180 | RefChem:246232

Standard CAS: 106809-14-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
106809-14-7
Multi CAS
Yes
Molecular Formula
C7H2Cl2FNO4
Molecular Weight
254.000000
Exact Mass
252.934491
SMILES
C1=C(C(=C(C(=C1F)Cl)[N+](=O)[O-])Cl)C(=O)O
InChI
InChI=1S/C7H2Cl2FNO4/c8-4-2(7(12)13)1-3(10)5(9)6(4)11(14)15/h1H,(H,12,13)
InChIKey
PCSAPCNEJUEIGU-UHFFFAOYSA-N
Synonyms
2,4-Dichloro-5-fluoro-3-nitrobenzoic acid DTXSID10370180 RefChem:246232 DTXCID90321216 630-229-7

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
50.03
TPSA
80.44

LogP / Solubility

WLOGP
2.74
MLOGP
2.42
XLogP3
2.6
Consensus LogP
2.59
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly 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)
-2.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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