Formyltetrathiafulvalene

Catalog Number

ACM68128949

CAS

68128-94-9

IUPAC Name

2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-carbaldehyde

Synonyms

Formyl-TTF
[2,2'-Bi(1,3-dithiolylidene)]-4-carboxaldehyde

Molecular Weight

232.35

Molecular Formula

C7H4OS4

Product Information

Canonical SMILES

C1=CSC(=C2SC=C(S2)C=O)S1

Inchi

InChI=1S/C7H4OS4/c8-3-5-4-11-7(12-5)6-9-1-2-10-6/h1-4H

InChIKey

NDJHQJARYXJFDI-UHFFFAOYSA-N

Melting Point

113 °C

Purity

>98.0%(GC)

Appearance

Dark green to Dark red to Black powder to crystal

storage

Store under inert gas

Complexity

293

Condition To Avoid

Light Sensitive,Air Sensitive

Hazard Statements

H314 : Causes severe skin burns and eye damage.H226 : Flammable liquid and vapor.

Heavy Atom Count

MDL Number

MFCD00059697

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P240 : Ground/bond container and receiving equipment.P210 : Keep away from heat/sparks/open flames/hot surfaces. No smoking.P233 : Keep container tightly closed.P243 : Take precautionary measures against static discharge.P241 : Use explosion-proof electrical/ ventilating/ lighting/ equipment.P242 : Use only non-sparking tools.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P370 + P378 : In case of fire: Use dry sand, dry chemical or alcohol-resistant foam to extinguish.P303 + P361 + P353 : IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/shower.P301 + P330 + P331 : IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.P363 : Wash contaminated clothing before reuse.P304 + P340 + P310 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Immediately call a POISON CENTER/doctor.P305 + P351 + P338 + P310 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Immediately call a POISON CENTER/doctor.P403 + P235 : Store in a well-ventilated place. Keep cool.P405 : Store locked up.

Reaxys Registry Number

1682113

Refractive Index

1.48

Rotatable Bond Count

Signal Word

Danger

Specific Gravity

0.87

Monoisotopic Mass

231.914499g/mol

Exact Mass