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CAS 1092461-07-8 2,6-Dichloro-3-(trifluoromethyl)benzylbromide molecular structure lightbox
CAS RN: 1092461-07-8

2,6-Dichloro-3-(trifluoromethyl)benzylbromide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250115 1g Out of stock Inquiry
  • Product code: SSC-010455
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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
  • Available purity: ≥95%
  • 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 1092461-07-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1092461-07-8 / 2-(bromomethyl)-1,3-dichloro-4-(trifluoromethyl)benzene

2-(bromomethyl)-1,3-dichloro-4-(trifluoromethyl)benzene | 2,6-DICHLORO-3-(TRIFLUOROMETHYL)BENZYL BROMIDE | MFCD11519349

Standard CAS: 1092461-07-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1092461-07-8
Multi CAS
No
Molecular Formula
C8H4BrCl2F3
Molecular Weight
307.920000
Exact Mass
305.882550
SMILES
C1=CC(=C(C(=C1C(F)(F)F)Cl)CBr)Cl
InChI
InChI=1S/C8H4BrCl2F3/c9-3-4-6(10)2-1-5(7(4)11)8(12,13)14/h1-2H,3H2
InChIKey
OAKBDJKNTUNRSH-UHFFFAOYSA-N
Synonyms
2-(bromomethyl)-1,3-dichloro-4-(trifluoromethyl)benzene 2,6-DICHLORO-3-(TRIFLUOROMETHYL)BENZYL BROMIDE MFCD11519349 SCHEMBL18669200 DTXSID401203982

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
54.1
TPSA
0.0000

LogP / Solubility

WLOGP
4.91
MLOGP
4.33
XLogP3
4.6
Consensus LogP
4.61
Log S (ESOL)
-5.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.85
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
No
Log Kp (skin permeation)
-1.11

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

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