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CAS 1198-55-6 3,4,5,6-Tetrachlorocatechol molecular structure lightbox
CAS RN: 1198-55-6

3,4,5,6-Tetrachlorocatechol

Product Availability

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250320 100g Out of stock Inquiry
Batchno.20250910 1g In stock Shanghai Inquiry
Batchno.20260129 250mg In stock Shanghai Inquiry
Batchno.20260522 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
Batchno.20250707 25g In stock Shanghai Inquiry
Batchno.20260327 5g In stock Shanghai Inquiry
  • Product code: SSC-020548
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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: 5g
  • 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 1198-55-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1198-55-6 / 3,4,5,6-tetrachlorobenzene-1,2-diol

TETRACHLOROCATECHOL | 3,4,5,6-tetrachlorobenzene-1,2-diol | Tetrachloro-1,2-benzenediol

Standard CAS: 1198-55-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1198-55-6
Multi CAS
Yes
Molecular Formula
C6H2Cl4O2
Molecular Weight
247.900000
Exact Mass
247.877940
SMILES
C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)O)O
InChI
InChI=1S/C6H2Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H
InChIKey
RRBMVWQICIXSEO-UHFFFAOYSA-N
Synonyms
TETRACHLOROCATECHOL 3,4,5,6-tetrachlorobenzene-1,2-diol Tetrachloro-1,2-benzenediol 3,4,5,6-Tetrachlorocatechol 5REG09UJO0

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.81
TPSA
40.46

LogP / Solubility

WLOGP
3.71
MLOGP
3.27
XLogP3
4.3
Consensus LogP
3.76
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
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)
-1.6

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H400 (95.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501

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