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CAS 1518-16-7 7,7,8,8-Tetracyanoquinodimethane molecular structure lightbox
CAS RN: 1518-16-7

7,7,8,8-Tetracyanoquinodimethane

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260223 100g In stock Shandong Inquiry
Batchno.20251207 1g In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20260308 25g In stock Shanghai, Shandong Inquiry
Batchno.20250809 5g In stock Shanghai, Shandong, Hebei Inquiry
  • Product code: SSC-061615
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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: 25g
  • 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 1518-16-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

1518-16-7 / 2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile

Standard CAS: 1518-16-7 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1518-16-7
Multi CAS
No
Molecular Formula
C12H4N4
Molecular Weight
204.190000
Exact Mass
204.043596
SMILES
C1=CC(=C(C#N)C#N)C=CC1=C(C#N)C#N
InChI
InChI=1S/C12H4N4/c13-5-11(6-14)9-1-2-10(4-3-9)12(7-15)8-16/h1-4H
InChIKey
PCCVSPMFGIFTHU-UHFFFAOYSA-N

Physical Properties

Physical Description
Green crystalline solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
H-bond acceptors
4
Molar refractivity
54.96
TPSA
95.16

LogP / Solubility

WLOGP
0.08
MLOGP
0.07
XLogP3
1
Consensus LogP
0.38
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.06
Class (SILICOS-IT)
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)
-3.91

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)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301+H311+H331 (87%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H301 (89.1%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (10.9%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (89.1%): Toxic in contact with skin [Danger Acute toxicity, dermal] H331 (89.1%): Toxic if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P262, P264, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P316, P317, P321, P330, P361+P364, P403+P233, P405, and P501

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