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CAS 118527-30-3 2,6-BIS(TRIFLUOROMETHYL)BROMOBENZENE molecular structure lightbox
CAS RN: 118527-30-3

2,6-BIS(TRIFLUOROMETHYL)BROMOBENZENE

Product Availability

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5 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250211 100g Out of stock Inquiry
Batchno.20260423 10g Out of stock Inquiry
Batchno.20260129 1g In stock Inquiry
Batchno.20250313 25g Out of stock Inquiry
Batchno.20250819 5g Out of stock Inquiry
  • Product code: SSC-018344
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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
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 118527-30-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
5g >97% 1 In Stock Beijing Inquiry
10g >97% 0 Out of Stock Shanghai Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry

118527-30-3 / 2-bromo-1,3-bis(trifluoromethyl)benzene

2-bromo-1,3-bis(trifluoromethyl)benzene | DTXSID90371155 | RefChem:1062416

Standard CAS: 118527-30-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
118527-30-3
Multi CAS
No
Molecular Formula
C8H3BrF6
Molecular Weight
293.000000
Exact Mass
291.932230
SMILES
C1=CC(=C(C(=C1)C(F)(F)F)Br)C(F)(F)F
InChI
InChI=1S/C8H3BrF6/c9-6-4(7(10,11)12)2-1-3-5(6)8(13,14)15/h1-3H
InChIKey
KMISZWJLTZOROU-UHFFFAOYSA-N
Synonyms
2-bromo-1,3-bis(trifluoromethyl)benzene DTXSID90371155 RefChem:1062416 DTXCID10322189 2,6-Bis(trifluoromethyl)bromobenzene

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
6
Molar refractivity
44.15
TPSA
0.0000

LogP / Solubility

WLOGP
4.49
MLOGP
3.96
XLogP3
4.4
Consensus LogP
4.28
Log S (ESOL)
-4.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.29
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)
-1.32

Drug-likeness / Medicinal Chemistry

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

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