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CAS 143782-23-4 4-Isothiocyanato-2-(trifluoromethyl)benzonitrile molecular structure lightbox
CAS RN: 143782-23-4

4-Isothiocyanato-2-(trifluoromethyl)benzonitrile

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260511 100g In stock Shanghai Inquiry
Batchno.20250909 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250610 500g In stock Shanghai Inquiry
Batchno.20260210 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-055110
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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, 500g
  • Available purity: ≥98%
  • Inventory rows with stock: 5
  • 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 143782-23-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Shanghai Inquiry
5g ≥98% 5 In Stock Beijing Inquiry
10g ≥98% 5 In Stock Shenzhen Inquiry
25g ≥98% 4 In Stock Shenzhen Inquiry
100g ≥98% 4 In Stock Hong Kong Inquiry
500g ≥98% 0 Out of Stock Beijing Inquiry

143782-23-4 / 4-isothiocyanato-2-(trifluoromethyl)benzonitrile

Standard CAS: 143782-23-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
143782-23-4
Multi CAS
No
Molecular Formula
C9H3F3N2S
Molecular Weight
228.200000
Exact Mass
227.996904
SMILES
C1=CC(=C(C=C1N=C=S)C(F)(F)F)C#N
InChI
InChI=1S/C9H3F3N2S/c10-9(11,12)8-3-7(14-5-15)2-1-6(8)4-13/h1-3H
InChIKey
TYXKOMAQTWRDCR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
50.84
TPSA
36.15

LogP / Solubility

WLOGP
3.31
MLOGP
2.92
XLogP3
3.9
Consensus LogP
3.38
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly 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)
-1.76

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 Health Hazard Environmental Hazard
Signal
Danger Warning
GHS Hazard Statements
H302+H312+H332 (14.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (28.6%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (28.6%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (71.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P203, P233, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P391, P403, P403+P233, P405, and P501 P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501

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