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CAS 179898-34-1 3-Bromo-5-fluorobenzonitrile molecular structure lightbox
CAS RN: 179898-34-1

3-Bromo-5-fluorobenzonitrile

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250326 100g In stock Inquiry
Batchno.20250815 10g In stock Inquiry
Batchno.20260518 1g In stock Inquiry
Batchno.20260624 25g In stock Inquiry
Batchno.20250502 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260531 1g / 5g / 10g / 25g / 100g / 500g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-080238
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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: 3
  • 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 179898-34-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Beijing Inquiry
5g >97% 3 In Stock Hong Kong Inquiry
10g >97% 1 In Stock Shanghai Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry
100g >97% 0 Out of Stock Hong Kong Inquiry

179898-34-1 / 3-bromo-5-fluorobenzonitrile

Standard CAS: 179898-34-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
179898-34-1
Multi CAS
No
Molecular Formula
C7H3BrFN
Molecular Weight
200.010000
Exact Mass
198.943290
SMILES
C1=C(C=C(C=C1F)Br)C#N
InChI
InChI=1S/C7H3BrFN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
InChIKey
IADLVSLZPQYXIF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
38.82
TPSA
23.79

LogP / Solubility

WLOGP
2.46
MLOGP
2.16
XLogP3
2.4
Consensus LogP
2.34
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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)
-2.19

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301+H311+H331 (10%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H301 (40%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (40%): Toxic in contact with skin [Danger Acute toxicity, dermal] H312 (60%): 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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