[email protected]
CAS 104356-17-4 4-Bromo-2-(trifluoromethyl)benzoyl chloride molecular structure lightbox
CAS RN: 104356-17-4

4-Bromo-2-(trifluoromethyl)benzoyl chloride

  • Product code: SSC-006127
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: 1g, 5g, 0.1g, 0.25g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 104356-17-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Hong Kong Inquiry
1g -- 2 In Stock Shenzhen Inquiry
5g -- 1 In Stock Shenzhen Inquiry
5g ≥95% 1 In Stock Shenzhen Inquiry
0.1g -- 0 Out of Stock Shanghai Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g -- 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
10g -- 0 Out of Stock Hong Kong Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry
25g -- 0 Out of Stock Beijing Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

104356-17-4 / 4-bromo-2-(trifluoromethyl)benzoyl chloride

4-Bromo-2-(trifluoromethyl)benzoyl Chloride | 4-Bromo-2-trifluoromethylbenzoyl chloride | MFCD13185394

Standard CAS: 104356-17-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
104356-17-4
Multi CAS
Yes
Molecular Formula
C8H3BrClF3O
Molecular Weight
287.460000
Exact Mass
285.900790
SMILES
C1=CC(=C(C=C1Br)C(F)(F)F)C(=O)Cl
InChI
InChI=1S/C8H3BrClF3O/c9-4-1-2-5(7(10)14)6(3-4)8(11,12)13/h1-3H
InChIKey
SPIPCSMQAATVLA-UHFFFAOYSA-N
Synonyms
4-Bromo-2-(trifluoromethyl)benzoyl Chloride 4-Bromo-2-trifluoromethylbenzoyl chloride MFCD13185394 C8H3BrClF3O Benzoyl chloride, 4-bromo-2-(trifluoromethyl)-

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
49.33
TPSA
17.07

LogP / Solubility

WLOGP
3.85
MLOGP
3.4
XLogP3
4
Consensus LogP
3.75
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.84
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.74

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

Customers Also Viewed

Get In Touch

Contact Us