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Home> Encyclopedia > Hot Product Listed 7   > 7,7,8,8-Tetracyanoquinodimethane
1518-16-7 structure

7,7,8,8-Tetracyanoquinodimethane

Iupac Name:2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile
CAS No.:1518-16-7
EINECS(EC#): 216-174-8
Molecular Weight:204.19
Molecular Formula:C12H4N4 (isomer)
Names and Identifiers
Synonyms

2,5-Cyclohexadiene-1,4-diylidene-alpha,alpha'-dimalononitrile 2,5-cyclohexadiene-delta(sup1,alpha:4,alpha)-dimalononitrile 2,5-Cyclohexadiene-delta(sup1alpha:4alpha)dimalononitrile 2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile 7,7,8,8-Tetracyano-1,4-chinodimethan 7,7,8,8-Tetracyano-1,4-quinodimethan 7,7,8,8-Tetracyanodimethan 7,7,8,8-Tetracyano-p-quinodimethane 7,7,8,8-TetracyanoquinodiMethane (purified by subliMation) 7,7,8,8-TetracyanoquinodiMethane 98% 7,7,8,8-tetracyanoquinoedimethane 7,7,8,8-tetracyanoquinonedimethane 7,7,8,8-Tetracyanoquinonedimethane for synthesis cyclohexa-2,5-diene-1,4-diylidene-bis-malononitrile

Inchi
InChI=1S/C12H4N4/c13-5-11(6-14)9-1-2-10(4-3-9)12(7-15)8-16/h1-4H
InChkey
PCCVSPMFGIFTHU-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=C(C#N)C#N)C=CC1=C(C#N)C#N
Properties
Appearance
orange to green crystalline powder
Density
1.3596 (rough estimate)
Melting Point
287-289 °C (dec.)(lit.)
Boiling Point
332.67°C (rough estimate)
Refractive Index
1.5000 (estimate)
Flash Point
99.7 °C
Solubility
insoluble
Color/Form
Orange-brown to green
Stability
Stable. Incompatible with strong acids, strong bases, strong reducing agents, strong oxidizing agents.
HS Code
29269095
Storage temp
Keep containers tightly closed. Store in a cool, dry area away from incompatible substances.
Safety and Handling
Hazard Codes
Xn,Xi,T
Risk Statements
22-20/21/22-23/24/25
Safety Statements
22-24/25-36/37-26-36-45
HazardClass
6.1
Safety

Hazard Codes:  Xn,Xi
Risk Statements:  20/21/22
20/21/22:  Tetracyanoquinodimethan (1518-16-7)  is harmful by inhalation, in contact with skin and if swallowed
Safety Statements : 24/25-36/37-22-26
24/25:  Avoid contact with skin and eyes
36/37:  Wear suitable protective clothing and gloves
22:  Do not breathe dust
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
RIDADR : 3276
WGK Germany:  3
RTECS : GU4850000
Hazard Note:  Irritant
HazardClass : 6.1
PackingGroup : II
HS Code : 29269095

Toxicity
Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00796,
PackingGroup
II
Transport
3276
Specification

1.General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. 
2.Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam.
3.Handling: Avoid contact with eyes, skin, and clothing. Avoid contact with skin and eyes. Avoid ingestion and inhalation. 
4.Storage: Store Tetracyanoquinodimethan (1518-16-7) in a cool, dry place. Store in a tightly closed container.
 

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Acute toxicity - Dermal, Category 3

Acute toxicity - Inhalation, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P311 Call a POISON CENTER/doctor/\u2026

Storage

P405 Store locked up.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:204.19g/mol
  • Molecular Formula:C12H4N4
  • Compound Is Canonicalized:True
  • Exact Mass:204.044
  • Monoisotopic Mass:204.044
  • Complexity:535
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:95.2A^2
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBzgAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHAAAAAAADACBAAAAAAAAAACQ BiBCAAAgAAAgAAAICAAAAAgIgAAAAAAAAAAAAAAIgAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-21-60542966
  • Fax:86-21-61916468
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  • Fax:40 2717 9149
  • Tel:+44 (0) 1747 83 1066
  • Fax:+44 (0) 1747 83 1199
  • Tel:82- 2 -783 - 8063
  • Fax:82 -2 - 3775 - 3073
  • Tel:81 75 251 1723 81-75-251-1730
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