[email protected]
CAS 1184936-21-7 4-Chloro-2-(trifluoroacetyl)aniline hydrochloride hydrate molecular structure lightbox
CAS RN: 1184936-21-7

4-Chloro-2-(trifluoroacetyl)aniline hydrochloride hydrate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250529 5g / 25g / 500g Out of stock 8-10 business days Inquiry
  • Product code: SSC-018279
GET A QUOTE
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: 5g, 1g, 100g, 25g
  • Available purity: ≥96%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1184936-21-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥96% 5 In Stock Hong Kong Inquiry
1g ≥96% 4 In Stock Shenzhen Inquiry
100g ≥96% 4 In Stock Beijing Inquiry
25g ≥96% 0 Out of Stock Shenzhen Inquiry

1184936-21-7 / 1-(2-amino-5-chlorophenyl)-2,2,2-trifluoroethanone;hydrate;hydrochloride

DTXSID40657739 | 1-(2-Amino-5-chlorophenyl)-2,2,2-trifluoroethan-1-one--hydrogen chloride--water (1/1/1) | RefChem:1053892

Standard CAS: 1184936-21-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1184936-21-7
Multi CAS
Yes
Molecular Formula
C8H8Cl2F3NO2
Molecular Weight
278.050000
Exact Mass
276.988418
SMILES
C1=CC(=C(C=C1Cl)C(=O)C(F)(F)F)N.O.Cl
InChI
InChI=1S/C8H5ClF3NO.ClH.H2O/c9-4-1-2-6(13)5(3-4)7(14)8(10,11)12;;/h1-3H,13H2;1H;1H2
InChIKey
FUYMYLYDBVWEHG-UHFFFAOYSA-N
Synonyms
DTXSID40657739 1-(2-Amino-5-chlorophenyl)-2,2,2-trifluoroethan-1-one--hydrogen chloride--water (1/1/1) RefChem:1053892 DTXCID40608488 4-Chloro-2-(trifluoroacetyl)aniline hydrochloride hydrate

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.11
TPSA
74.59

LogP / Solubility

WLOGP
2.26
MLOGP
2
XLogP3
2.26
Consensus LogP
2.17
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us