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CAS 115467-07-7 5-Bromo-1,3-difluoro-2-(trifluoromethoxy)benzene molecular structure lightbox
CAS RN: 115467-07-7

5-Bromo-1,3-difluoro-2-(trifluoromethoxy)benzene

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250424 100g In stock Shanghai Inquiry
Batchno.20250504 1g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260519 250mg In stock Shanghai Inquiry
Batchno.20251130 25g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20250511 500g In stock Shanghai Inquiry
Batchno.20251118 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-015218
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g, 5g, 10g, 25g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 115467-07-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

115467-07-7 / 5-bromo-1,3-difluoro-2-(trifluoromethoxy)benzene

5-Bromo-1,3-difluoro-2-(trifluoromethoxy)benzene | Benzene, 5-bromo-1,3-difluoro-2-(trifluoromethoxy)- | DTXSID50570203

Standard CAS: 115467-07-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
115467-07-7
Multi CAS
No
Molecular Formula
C7H2BrF5O
Molecular Weight
276.990000
Exact Mass
275.920920
SMILES
C1=C(C=C(C(=C1F)OC(F)(F)F)F)Br
InChI
InChI=1S/C7H2BrF5O/c8-3-1-4(9)6(5(10)2-3)14-7(11,12)13/h1-2H
InChIKey
ORHCJZZKAUAZDR-UHFFFAOYSA-N
Synonyms
5-Bromo-1,3-difluoro-2-(trifluoromethoxy)benzene Benzene, 5-bromo-1,3-difluoro-2-(trifluoromethoxy)- DTXSID50570203 RefChem:532701 DTXCID00520975

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
40.74
TPSA
9.23

LogP / Solubility

WLOGP
3.63
MLOGP
3.2
XLogP3
4
Consensus LogP
3.61
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
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)
-1.84

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H314 (40%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (40%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H334 (40%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
Precautionary Statement Codes
P233, P260, P261, P264, P264+P265, P271, P272, P273, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P363, P403, P405, and P501

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