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CAS 143879-80-5 2,3,4-Trifluorobenzonitrile molecular structure lightbox
CAS RN: 143879-80-5

2,3,4-Trifluorobenzonitrile

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251203 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-055162
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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: 10g, 5g, 25g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • 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 143879-80-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 5 In Stock Hong Kong Inquiry
5g ≥98% 4 In Stock Hong Kong Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry
100g ≥98% 0 Out of Stock Beijing Inquiry

143879-80-5 / 2,3,4-trifluorobenzonitrile

Standard CAS: 143879-80-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
143879-80-5
Multi CAS
No
Molecular Formula
C7H2F3N
Molecular Weight
157.090000
Exact Mass
157.013934
SMILES
C1=CC(=C(C(=C1C#N)F)F)F
InChI
InChI=1S/C7H2F3N/c8-5-2-1-4(3-11)6(9)7(5)10/h1-2H
InChIKey
KTPHYLJFAZNALV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
31.03
TPSA
23.79

LogP / Solubility

WLOGP
1.98
MLOGP
1.73
XLogP3
1.9
Consensus LogP
1.87
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
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)
-2.28

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
H227 (12.5%): Combustible liquid [Warning Flammable liquids] H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (12.5%): Toxic in contact with skin [Danger Acute toxicity, dermal] H312 (75%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Precautionary Statement Codes
P210, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403, P403+P233, P405, and P501

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