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CAS 1019-52-9 3,5-DINITRO-4-HYDROXYBENZOIC ACID molecular structure lightbox
CAS RN: 1019-52-9

3,5-DINITRO-4-HYDROXYBENZOIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250305 1g Out of stock 15 business days Inquiry
  • Product code: SSC-002965
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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: 0.1g, 0.25g, 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 1019-52-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 0 Out of Stock Shenzhen Inquiry
0.25g ≥97% 0 Out of Stock Shenzhen Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

1019-52-9 / 4-hydroxy-3,5-dinitrobenzoic acid

4-Hydroxy-3,5-dinitrobenzoic acid | 3,5-Dinitro-4-hydroxybenzoic acid | Benzoic acid, 4-hydroxy-3,5-dinitro-

Standard CAS: 1019-52-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1019-52-9
Multi CAS
Yes
Molecular Formula
C7H4N2O7
Molecular Weight
228.120000
Exact Mass
228.001850
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C7H4N2O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H,(H,11,12)
InChIKey
GBSWIDSKAJFWMF-UHFFFAOYSA-N
Synonyms
4-Hydroxy-3,5-dinitrobenzoic acid 3,5-Dinitro-4-hydroxybenzoic acid Benzoic acid, 4-hydroxy-3,5-dinitro- 8H7CH6XVL8 EINECS 213-814-8

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
48.37
TPSA
143.81

LogP / Solubility

WLOGP
0.91
MLOGP
0.8
XLogP3
2.1
Consensus LogP
1.27
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
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)
-3.47

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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