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Tetrathiafulvalene

Tetrathiafulvalene structure

CAS No:
31366-25-3
Formula:
C6H4S4
Chemical Name:
Tetrathiafulvalene
Synonyms:
1,3-Dithiole,2-(1,3-dithiol-2-ylidene)-;Δ2,2′-Bi-1,3-dithiole;2-(1,3-Dithiol-2-ylidene)-1,3-dithiole;1,4,5,8-Tetrathiafulvalene;Tetrathiafulvalene;TTF;NSC 222862;2-(2H-1,3-Dithiol-2-ylidene)-2H-1,3-dithiole;56243-32-4;56481-75-5;87891-32-5;143413-93-8
Categories:
Specialty Chemicals

Description

Tetrathiafulvalene is a member of the class of fulvalenes that is ethene substituted by 1,3-dithiol-2-ylidene groups at positions 1 and 2. It is an organosulfur heterocyclic compound and a member of fulvalenes.

Tetrathiafulvalene Basic Attributes

Molecular Weight：

204.34

Exact Mass：

204.36

EC Number：

250-593-7

UNII：

HY1EN16W9T

NSC Number：

222862

DSSTox ID：

DTXSID6067620

Characteristics

PSA：

101 Å²

Density：

1.448 (estimate)

Melting Point：

119.1 °C

Boiling Point：

90 °C @ Press: 1 Torr

Refractive Index：

1.6000 (estimate)

Water Solubility：

It is insoluble in water. Soluble in organic solvents.

Safety Information

Transport codes：

3335

wgk germany：

hazard class code：

43-52/53

safety instructions：

36/37-61-24/25

Marks：

GHS Classification：

|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 4 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

1,4,5,8-tetrathiafulvalene

Tetrathiafulvalene Use and Manufacturing

Uses

Molecular sensors; radical catalyst.

Manufacturing Info：

1,3-Dithiole, 2-(1,3-dithiol-2-ylidene)-: ACTIVE

Computed Properties

Molecular Weight:204.4
XLogP3:2.5
Hydrogen Bond Acceptor Count:4
Exact Mass:203.91958482
Monoisotopic Mass:203.91958482
Topological Polar Surface Area:101
Heavy Atom Count:10
Complexity:182
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 31366-25-3

Grade: Industrial Grade

Content: 99%

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