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CAS 113512-57-5 2,4-Difluoro-5-nitrophenol molecular structure lightbox
CAS RN: 113512-57-5

2,4-Difluoro-5-nitrophenol

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260418 100g In stock Shanghai, Wuhan Inquiry
Batchno.20251004 1g In stock Shanghai Inquiry
Batchno.20251106 1kg In stock Shanghai Inquiry
Batchno.20251031 25g In stock Shanghai Inquiry
Batchno.20250610 500g In stock Shanghai Inquiry
Batchno.20251105 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-013624
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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: 100g
  • 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 113512-57-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

113512-57-5 / 2,4-difluoro-5-nitrophenol

2,4-Difluoro-5-nitrophenol | DTXSID20448349 | RefChem:246415

Standard CAS: 113512-57-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
113512-57-5
Multi CAS
No
Molecular Formula
C6H3F2NO3
Molecular Weight
175.090000
Exact Mass
175.008099
SMILES
C1=C(C(=CC(=C1O)F)F)[N+](=O)[O-]
InChI
InChI=1S/C6H3F2NO3/c7-3-1-4(8)6(10)2-5(3)9(11)12/h1-2,10H
InChIKey
SMRYCTJAGPDVEH-UHFFFAOYSA-N
Synonyms
2,4-Difluoro-5-nitrophenol DTXSID20448349 RefChem:246415 DTXCID70399170 642-816-5

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.68
TPSA
63.37

LogP / Solubility

WLOGP
1.58
MLOGP
1.39
XLogP3
1.6
Consensus LogP
1.52
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
Class (SILICOS-IT)
Moderately 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
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (66.7%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (66.7%): Toxic in contact with skin [Danger Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

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