CAS 133113-76-5 Dimethyl 2-(1,3-Dithiole)phosphonate

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Dimethyl 2-(1,3-Dithiole)phosphonate

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Catalog Number

ACM133113765

Product Name

Dimethyl 2-(1,3-Dithiole)phosphonate

Structure

CAS

133113-76-5

Category

Molecular Conductors

Synonyms

2-(1,3-Dithiole)phosphonic Acid Dimethyl Ester

IUPAC Name

2-dimethoxyphosphoryl-1,3-dithiole

Molecular Weight

212.22

Molecular Formula

C5H9O3PS2

Canonical SMILES

COP(=O)(C1SC=CS1)OC

InChI

InChI=1S/C5H11O3PS2/c1-7-9(6,8-2)5-10-3-4-11-5/h5H,3-4H2,1-2H3

InChI Key

IKMWQJFOJQJJJM-UHFFFAOYSA-N

Melting Point

122 °C

Flash Point

157 °C

Purity

>97.0%(GC)

Appearance

Light yellow to Brown clear liquid

Storage

Store under inert gas

Complexity

190

Covalently-Bonded Unit Count

Exact Mass

211.973073g/mol

Formal Charge

Hazard Statements

H301 + H311 + H331 : Toxic if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

MDL Number

MFCD00137883

Monoisotopic Mass

211.973073g/mol

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P310 + P330 : IF SWALLOWED: Immediately call a POISON CENTER/doctor. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P311 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor.P403 + P233 : Store in a well-ventilated place. Keep container tightly closed.P405 : Store locked up.

Refractive Index

1.56

Rotatable Bond Count

Signal Word

Danger

Specific Gravity

1.42

XLogP3

0.8

MSDS

Download MSDS

COA