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CAS 118129-60-5 1,7-Dibromo-3,4,9,10-perylenetetracarboxylic Dianhydride molecular structure lightbox
CAS RN: 118129-60-5

1,7-Dibromo-3,4,9,10-perylenetetracarboxylic Dianhydride

Product Availability

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9 package records8 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260403 100g In stock Shanghai Inquiry
Batchno.20260510 100g Out of stock 5-7 business days Inquiry
Batchno.20260608 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260625 1g In stock Shanghai, Shandong, Chongqing, Hebei Inquiry
Batchno.20251028 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250927 25g In stock Shenzhen Inquiry
Batchno.20260604 25g In stock Shanghai, Shandong Inquiry
Batchno.20250710 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260131 5g In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-017931
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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: ≥97%
  • 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 118129-60-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

118129-60-5 / 11,22-dibromo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone

1,7-Dibromo-3,4,9,10-perylenetetracarboxylic Dianhydride | RefChem:417778 | 695-253-2

Standard CAS: 118129-60-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
118129-60-5
Multi CAS
Yes
Molecular Formula
C24H6Br2O6
Molecular Weight
550.100000
Exact Mass
549.851060
SMILES
C1=CC2=C3C(=CC(=C4C3=C1C5=C(C=C6C7=C(C=CC4=C57)C(=O)OC6=O)Br)Br)C(=O)OC2=O
InChI
InChI=1S/C24H6Br2O6/c25-13-5-12-16-10(22(28)32-24(12)30)4-2-8-18-14(26)6-11-15-9(21(27)31-23(11)29)3-1-7(19(15)18)17(13)20(8)16/h1-6H
InChIKey
WPBVUAVIGWNDGT-UHFFFAOYSA-N
Synonyms
1,7-Dibromo-3,4,9,10-perylenetetracarboxylic Dianhydride RefChem:417778 695-253-2 5,12-Dibromoanthra[2,1,9-def:6,5,10-d'e'f']diisochromene-1,3,8,10-tetraone MFCD11870875

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
20
H-bond acceptors
6
Molar refractivity
122.54
TPSA
86.74

LogP / Solubility

WLOGP
5.88
MLOGP
5.22
XLogP3
5.9
Consensus LogP
5.67
Log S (ESOL)
-7.42
Class (ESOL)
Insoluble
Log S (Ali)
-8.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.12
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.9

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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