[email protected]
CAS 175278-12-3 4-BROMO-2-(TRIFLUOROMETHOXY)IODOBENZENE molecular structure lightbox
CAS RN: 175278-12-3

4-BROMO-2-(TRIFLUOROMETHOXY)IODOBENZENE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260421 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-076934
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: 10g, 5g, 25g, 100g
  • Available purity: >97%
  • 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 175278-12-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >97% 5 In Stock Shenzhen Inquiry
5g >97% 4 In Stock Hong Kong Inquiry
25g >97% 2 In Stock Beijing Inquiry
100g >97% 2 In Stock Hong Kong Inquiry

175278-12-3 / 4-bromo-1-iodo-2-(trifluoromethoxy)benzene

Standard CAS: 175278-12-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
175278-12-3
Multi CAS
No
Molecular Formula
C7H3BrF3IO
Molecular Weight
366.900000
Exact Mass
365.836410
SMILES
C1=CC(=C(C=C1Br)OC(F)(F)F)I
InChI
InChI=1S/C7H3BrF3IO/c8-4-1-2-5(12)6(3-4)13-7(9,10)11/h1-3H
InChIKey
IGWVTCXEZVURNB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
53.54
TPSA
9.23

LogP / Solubility

WLOGP
3.95
MLOGP
3.5
XLogP3
4.4
Consensus LogP
3.95
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.45
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.15

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
Signal
Warning
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us