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CAS 1517611-20-9 2-Bromo-3,4-difluorobenzonitrile molecular structure lightbox
CAS RN: 1517611-20-9

2-Bromo-3,4-difluorobenzonitrile

  • Product code: SSC-061571
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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, 0.1g, 0.25g, 10g, 25g
  • Available purity: ≥97%
  • Inventory rows with stock: 10
  • 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 1517611-20-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Beijing Inquiry
1g ≥97% 5 In Stock Beijing Inquiry
5g -- 3 In Stock Beijing Inquiry
5g ≥97% 3 In Stock Shanghai Inquiry
0.1g -- 2 In Stock Beijing Inquiry
0.1g ≥97% 2 In Stock Hong Kong Inquiry
0.25g -- 2 In Stock Shanghai Inquiry
0.25g ≥97% 2 In Stock Shenzhen Inquiry
10g -- 1 In Stock Beijing Inquiry
10g ≥97% 1 In Stock Hong Kong Inquiry
25g -- 0 Out of Stock Hong Kong Inquiry
25g ≥97% 0 Out of Stock Hong Kong Inquiry

1517611-20-9 / 2-bromo-3,4-difluorobenzonitrile

Standard CAS: 1517611-20-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1517611-20-9
Multi CAS
No
Molecular Formula
C7H2BrF2N
Molecular Weight
218.000000
Exact Mass
216.933870
SMILES
C1=CC(=C(C(=C1C#N)Br)F)F
InChI
InChI=1S/C7H2BrF2N/c8-6-4(3-11)1-2-5(9)7(6)10/h1-2H
InChIKey
AJSCMTNRSYZUJK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
38.77
TPSA
23.79

LogP / Solubility

WLOGP
2.6
MLOGP
2.29
XLogP3
2.5
Consensus LogP
2.46
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
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)
-2.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
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

Applications of CAS 1517611-20-9

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1517611-20-9 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.

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