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CAS 134415-42-2 4-BROMOCHLOROBENZENE-D4 molecular structure lightbox
CAS RN: 134415-42-2

4-BROMOCHLOROBENZENE-D4

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260615 10mg / 25mg / 50mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-042133
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥98%
  • 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 134415-42-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥98% 0 Out of Stock Hong Kong Inquiry
0.25g ≥98% 0 Out of Stock Shenzhen Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry

134415-42-2 / 1-bromo-4-chloro-2,3,5,6-tetradeuteriobenzene

Standard CAS: 134415-42-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
134415-42-2
Multi CAS
No
Molecular Formula
C6H4BrCl
Molecular Weight
195.480000
Exact Mass
193.943600
SMILES
[2H]C1=C(C(=C(C(=C1Cl)[2H])[2H])Br)[2H]
InChI
InChI=1S/C6H4BrCl/c7-5-1-3-6(8)4-2-5/h1-4H/i1D,2D,3D,4D
InChIKey
NHDODQWIKUYWMW-RHQRLBAQSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
Molar refractivity
39.15
TPSA
0.0000

LogP / Solubility

WLOGP
3.1
MLOGP
2.73
XLogP3
3.7
Consensus LogP
3.18
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
Class (SILICOS-IT)
Poorly 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)
-1.69

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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