Formyltetrathiafulvalene

• CAS: 68128-94-9
• Catalog Number: ACM68128949
• Category: Other Products
• Molecular Weight: 232.35
• Molecular Formula: C7H4OS4
• Synonyms: Formyl-TTF; [2,2'-Bi(1,3-dithiolylidene)]-4-carboxaldehyde
• IUPAC Name: 2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-carbaldehyde
• 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
• InChI Key: NDJHQJARYXJFDI-UHFFFAOYSA-N
• Melting Point: 113 °C
• 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
• Covalently-Bonded Unit Count: 1
• Exact Mass: 231.914499g/mol
• Formal Charge: 0
• Hazard Statements: H314 : Causes severe skin burns and eye damage.H226 : Flammable liquid and vapor.
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• Heavy Atom Count: 12
• MDL Number: MFCD00059697
• Monoisotopic Mass: 231.914499g/mol
• NSC Number: 369045
• 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.
• Refractive Index: 1.48
• Rotatable Bond Count: 1
• Signal Word: Danger
• Specific Gravity: 0.87
• XLogP3: 2.2