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CAS 112279-61-5 4-Amino-2,5-difluorobenzonitrile molecular structure lightbox
CAS RN: 112279-61-5

4-Amino-2,5-difluorobenzonitrile

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251211 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250518 1g In stock Inquiry
Batchno.20251205 25g Out of stock Inquiry
Batchno.20250712 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250201 100g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260608 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250727 25g In stock Tianjin, Wuhan Inquiry
Batchno.20250317 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-012730
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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, 5g, 10g, 25g
  • Available purity: ≥96%
  • 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 112279-61-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥96% 0 Out of Stock Shenzhen Inquiry
5g ≥96% 0 Out of Stock Hong Kong Inquiry
10g ≥96% 0 Out of Stock Shanghai Inquiry
25g ≥96% 0 Out of Stock Shanghai Inquiry

112279-61-5 / 4-amino-2,5-difluorobenzonitrile

4-Amino-2,5-difluorobenzonitrile | DTXSID50371010 | RefChem:517550

Standard CAS: 112279-61-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
112279-61-5
Multi CAS
No
Molecular Formula
C7H4F2N2
Molecular Weight
154.120000
Exact Mass
154.034254
SMILES
C1=C(C(=CC(=C1F)N)F)C#N
InChI
InChI=1S/C7H4F2N2/c8-5-2-7(11)6(9)1-4(5)3-10/h1-2H,11H2
InChIKey
LAPGMTOHOQPDGI-UHFFFAOYSA-N
Synonyms
4-Amino-2,5-difluorobenzonitrile DTXSID50371010 RefChem:517550 DTXCID70322044 671-665-8

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.49
TPSA
49.81

LogP / Solubility

WLOGP
1.42
MLOGP
1.24
XLogP3
1.2
Consensus LogP
1.29
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
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)
-2.65

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)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (87.5%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral] H312+H332 (12.5%): Harmful in contact with skin or if inhaled [Warning Acute toxicity, dermal; acute toxicity, inhalation] H312 (87.5%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (87.5%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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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