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CAS 126866-35-1 3-bromo-5-chlorobiphenyl molecular structure lightbox
CAS RN: 126866-35-1

3-bromo-5-chlorobiphenyl

  • Product code: SSC-034130
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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: 100g
  • 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 126866-35-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Beijing Inquiry

126866-35-1 / 1-bromo-3-chloro-5-phenylbenzene

Standard CAS: 126866-35-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
126866-35-1
Multi CAS
No
Molecular Formula
C12H8BrCl
Molecular Weight
267.550000
Exact Mass
265.949790
SMILES
C1=CC=C(C=C1)C2=CC(=CC(=C2)Br)Cl
InChI
InChI=1S/C12H8BrCl/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-8H
InChIKey
SJLJTKRBBCLGPR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
Molar refractivity
64.59
TPSA
0.0000

LogP / Solubility

WLOGP
4.77
MLOGP
4.21
XLogP3
4.9
Consensus LogP
4.63
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.48
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.97

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)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P317, P330, P391, and P501

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