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CAS 103438-85-3 4-fluoro-3-hydroxy-benzaldehyde molecular structure lightbox
CAS RN: 103438-85-3

4-fluoro-3-hydroxy-benzaldehyde

  • Product code: SSC-004972
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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: 25g, 10g, 0.1g, 0.25g, 1g, 5g
  • Available purity: >98%
  • Inventory rows with stock: 5
  • 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 103438-85-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >98% 4 In Stock Hong Kong Inquiry
10g >98% 3 In Stock Shanghai Inquiry
0.1g >98% 2 In Stock Shenzhen Inquiry
0.25g >98% 2 In Stock Shenzhen Inquiry
1g >98% 2 In Stock Hong Kong Inquiry
5g >98% 0 Out of Stock Beijing Inquiry

103438-85-3 / 4-fluoro-3-hydroxybenzaldehyde

3-Fluoro-4-hydroxybenzaldehyde | Benzaldehyde, 3-fluoro-4-hydroxy- | DTXSID00343080

Standard CAS: 103438-85-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
103438-85-3
Multi CAS
Yes
Molecular Formula
C7H5FO2
Molecular Weight
140.110000
Exact Mass
140.027358
SMILES
C1=CC(=C(C=C1C=O)O)F
InChI
InChI=1S/C7H5FO2/c8-6-2-1-5(4-9)3-7(6)10/h1-4,10H
InChIKey
DOULGHINSFURSM-UHFFFAOYSA-N
Synonyms
3-Fluoro-4-hydroxybenzaldehyde Benzaldehyde, 3-fluoro-4-hydroxy- DTXSID00343080 RefChem:93910 DTXCID60294160

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.45
TPSA
37.3

LogP / Solubility

WLOGP
1.34
MLOGP
1.18
XLogP3
1.1
Consensus LogP
1.21
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-2.62

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)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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