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CAS 104798-53-0 2-Fluoro-5-hydroxybenzenecarbonitrile molecular structure lightbox
CAS RN: 104798-53-0

2-Fluoro-5-hydroxybenzenecarbonitrile

Product Availability

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4 package records2 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260302 250mg / 1g / 5g / 10g / 25g / 100g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250805 200mg / 1g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260615 1g Out of stock 8-10 business days Inquiry
Batchno.20260210 5g In stock Shanghai Inquiry
  • Product code: SSC-006533
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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, 25g, 0.25g, 1g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 8
  • 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 104798-53-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 2 In Stock Hong Kong Inquiry
25g -- 2 In Stock Hong Kong Inquiry
25g ≥95% 2 In Stock Hong Kong Inquiry
0.25g -- 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
1g -- 1 In Stock Hong Kong Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry
5g -- 1 In Stock Hong Kong Inquiry
10g -- 0 Out of Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry

104798-53-0 / 2-fluoro-5-hydroxybenzonitrile

2-Fluoro-5-hydroxybenzonitrile | DTXSID40626920 | RefChem:260986

Standard CAS: 104798-53-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
104798-53-0
Multi CAS
No
Molecular Formula
C7H4FNO
Molecular Weight
137.110000
Exact Mass
137.027692
SMILES
C1=CC(=C(C=C1O)C#N)F
InChI
InChI=1S/C7H4FNO/c8-7-2-1-6(10)3-5(7)4-9/h1-3,10H
InChIKey
HFLYBTRQFOKYHC-UHFFFAOYSA-N
Synonyms
2-Fluoro-5-hydroxybenzonitrile DTXSID40626920 RefChem:260986 DTXCID70577673 642-753-3

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.78
TPSA
44.02

LogP / Solubility

WLOGP
1.4
MLOGP
1.23
XLogP3
1.4
Consensus LogP
1.34
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
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)
-2.56

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301+H311+H331 (20%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H301 (40%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (40%): Toxic in contact with skin [Danger Acute toxicity, dermal] H312 (40%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

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