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CAS 1951-36-6 2,5-Dihydroxy-1,4-benzenedicarboxaldehyde molecular structure lightbox
CAS RN: 1951-36-6

2,5-Dihydroxy-1,4-benzenedicarboxaldehyde

  • Product code: SSC-091997
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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: 0.1g, 5g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 1951-36-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Hong Kong Inquiry
5g ≥95% 5 In Stock Hong Kong Inquiry
0.25g ≥95% 3 In Stock Hong Kong Inquiry
1g ≥95% 2 In Stock Shenzhen Inquiry

1951-36-6 / 2,5-dihydroxyterephthalaldehyde

Standard CAS: 1951-36-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1951-36-6
Multi CAS
No
Molecular Formula
C8H6O4
Molecular Weight
166.130000
Exact Mass
166.026609
SMILES
C1=C(C(=CC(=C1O)C=O)O)C=O
InChI
InChI=1S/C8H6O4/c9-3-5-1-7(11)6(4-10)2-8(5)12/h1-4,11-12H
InChIKey
PIWMYUGNZBJTID-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
40.55
TPSA
74.6

LogP / Solubility

WLOGP
0.72
MLOGP
0.63
XLogP3
1.2
Consensus LogP
0.85
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
Class (SILICOS-IT)
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)
-3.22

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (83.3%): 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 (83.3%): 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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