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CAS 1592-31-0 α,α,α’,α’-Tetrabromo-p-xylene molecular structure lightbox
CAS RN: 1592-31-0

α,α,α’,α’-Tetrabromo-p-xylene

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250924 1g In stock Inquiry
Batchno.20251119 250mg In stock Inquiry
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Batchno.20260123 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250719 1g / 5g Confirm by inquiry Shandong Inquiry
  • Product code: ICTT0053
  • Purity/Analytical Methods: >98.0%(GC)
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1592-31-0 / 1,4-bis(dibromomethyl)benzene

Standard CAS: 1592-31-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1592-31-0
Multi CAS
No
Molecular Formula
C8H6Br4
Molecular Weight
421.750000
Exact Mass
421.716200
SMILES
C1=CC(=CC=C1C(Br)Br)C(Br)Br
InChI
InChI=1S/C8H6Br4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4,7-8H
InChIKey
VIQBABDKNOOCQD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
Molar refractivity
67.63
TPSA
0.0000

LogP / Solubility

WLOGP
5.26
MLOGP
4.66
XLogP3
4.8
Consensus LogP
4.91
Log S (ESOL)
-6.01
Class (ESOL)
Insoluble
Log S (Ali)
-6.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.01
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-1.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501

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