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CAS 115661-37-5 2-AMINO-3-FLUOROBENZONITRILE molecular structure lightbox
CAS RN: 115661-37-5

2-AMINO-3-FLUOROBENZONITRILE

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260111 100g In stock Inquiry
Batchno.20260416 10g Out of stock Inquiry
Batchno.20260413 1g In stock Inquiry
Batchno.20250406 25g In stock Inquiry
Batchno.20250408 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260405 5g / 10g / 25g / 100g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-015437
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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: 1g, 5g, 10g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 115661-37-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Beijing Inquiry
5g >97% 5 In Stock Hong Kong Inquiry
10g >97% 5 In Stock Shanghai Inquiry
25g >97% 3 In Stock Hong Kong Inquiry
100g >97% 0 Out of Stock Shanghai Inquiry

115661-37-5 / 2-amino-3-fluorobenzonitrile

2-Amino-6-fluorobenzonitrile | EC 616-451-7 | DTXSID10335032

Standard CAS: 115661-37-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
115661-37-5
Multi CAS
Yes
Molecular Formula
C7H5FN2
Molecular Weight
136.130000
Exact Mass
136.043676
SMILES
C1=CC(=C(C(=C1)F)N)C#N
InChI
InChI=1S/C7H5FN2/c8-6-3-1-2-5(4-9)7(6)10/h1-3H,10H2
InChIKey
UNISSOLHERSZOW-UHFFFAOYSA-N
Synonyms
2-Amino-6-fluorobenzonitrile EC 616-451-7 DTXSID10335032 RefChem:464771 DTXCID60286121

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.53
TPSA
49.81

LogP / Solubility

WLOGP
1.28
MLOGP
1.12
XLogP3
1.6
Consensus LogP
1.33
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
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)
-2.64

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 (25%): Toxic if swallowed [Danger Acute toxicity, oral] H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (25%): Toxic in contact with skin [Danger Acute toxicity, dermal] H312 (75%): 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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