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CAS 327-78-6 4-Chloro-3-(trifluoromethyl)phenyl Isocyanate molecular structure lightbox
CAS RN: 327-78-6

4-Chloro-3-(trifluoromethyl)phenyl Isocyanate

  • Product code: SSC-138346
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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: ≥95%
  • Inventory rows with stock: 6
  • 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 327-78-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
5g ≥95% 5 In Stock Shenzhen Inquiry
10g ≥95% 5 In Stock Shenzhen Inquiry
25g ≥95% 5 In Stock Shenzhen Inquiry
100g ≥95% 5 In Stock Shanghai Inquiry
500g ≥95% 5 In Stock Shenzhen Inquiry

327-78-6 / 1-chloro-4-isocyanato-2-(trifluoromethyl)benzene

Standard CAS: 327-78-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
327-78-6
Multi CAS
No
Molecular Formula
C8H3CLF3NO
Molecular Weight
221.560000
Exact Mass
220.985526
InChI
InChI=1S/C8H3ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H
InChIKey
NBJZEUQTGLSUOB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
44.24
TPSA
29.43

LogP / Solubility

WLOGP
3.33
MLOGP
2.93
XLogP3
5
Consensus LogP
3.75
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
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)
-1.71

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

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