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CAS 1000574-74-2 3,5-Difluoro-4-iodophenol molecular structure lightbox
CAS RN: 1000574-74-2

3,5-Difluoro-4-iodophenol

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250223 100mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250830 1g In stock Shanghai, Chengdu Inquiry
Batchno.20260617 250mg In stock Shanghai Inquiry
Batchno.20251201 5g In stock Shanghai Inquiry
  • Product code: SSC-000279
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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: ≥95%
  • 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 1000574-74-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1000574-74-2 / 3,5-difluoro-4-iodophenol

3,5-Difluoro-4-iodophenol | 1000574-74-2 | DTXSID30650254

Standard CAS: 1000574-74-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1000574-74-2
Multi CAS
No
Molecular Formula
C6H3F2IO
Molecular Weight
255.990000
Exact Mass
255.919670
SMILES
C1=C(C=C(C(=C1F)I)F)O
InChI
InChI=1S/C6H3F2IO/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H
InChIKey
KLSDPJZCUXBUSQ-UHFFFAOYSA-N
Synonyms
3,5-Difluoro-4-iodophenol 1000574-74-2 DTXSID30650254 RefChem:271761 DTXCID30601004

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.74
TPSA
20.23

LogP / Solubility

WLOGP
2.27
MLOGP
2.01
XLogP3
2.4
Consensus LogP
2.23
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly 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)
-2.67

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (20%): 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 (20%): 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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