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CAS 1000339-24-1 3-Cyano-2-fluorophenol molecular structure lightbox
CAS RN: 1000339-24-1

3-Cyano-2-fluorophenol

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251123 1g In stock Inquiry
Batchno.20250916 250mg In stock Inquiry
Batchno.20250627 50mg In stock Inquiry
  • Product code: SSC-000082
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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: 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 1000339-24-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1000339-24-1 / 2-fluoro-3-hydroxybenzonitrile

2-FLUORO-3-HYDROXYBENZONITRILE | 1000339-24-1 | DTXSID20599027

Standard CAS: 1000339-24-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1000339-24-1
Multi CAS
No
Molecular Formula
C7H4FNO
Molecular Weight
137.110000
Exact Mass
137.027692
SMILES
C1=CC(=C(C(=C1)O)F)C#N
InChI
InChI=1S/C7H4FNO/c8-7-5(4-9)2-1-3-6(7)10/h1-3,10H
InChIKey
CVJVSXKZGFQWJK-UHFFFAOYSA-N
Synonyms
2-FLUORO-3-HYDROXYBENZONITRILE 1000339-24-1 DTXSID20599027 RefChem:260862 DTXCID40549786

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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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