methanedithione

• ChemBase ID: 106208
• Molecular Formular: CS2
• Molecular Mass: 76.1407
• Monoisotopic Mass: 75.944142
• SMILES: S=C=S
• Canonical SMILES: S=C=S
• InChI: InChI=1S/CS2/c2-1-3
• InChIKey: QGJOPFRUJISHPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methanedithione
• IUPAC Traditional name: carbon disulfide
• Synonyms: Carbon disulfide solution; Carbon disulfide; Carbon disulfide, HPLC Grade; Carbon bisulfide; Carbone (sulfuro di); Dithiocarbonic anhydride; Kohlendisulfid (schwefelkohlenstoff); Koolstofdisulfide (zwavelkoolstof); Schwefelkohlenstoff; Solfuro di carbonio; Wegla dwusiarczek; CARBON DISULFIDE, ACS GRADE; CARBON DISULFIDE, SPECTRO GRADE; CARBON DISULFIDE; CARBON DISULFIDE, LOW BENZENE GRADE; Carbon-12C disulfide; Carbon disulfide, low benzene; Carbon disulfide, ACS; 二硫化碳 溶液; 二硫化碳; 二硫化碳, HPLC级; 二硫化碳-12C; 二硫化碳, 低苯; 二硫化碳, ACS

Database IDs

• CAS Number: 75-15-0
• EC Number: 200-659-6; 200-843-6
• MDL Number: MFCD00011321
• Beilstein Number: 1098293
• Merck Index: 141811
• PubChem SID: 24850852; 24860298; 24861045; 24866582; 24856387; 24872713; 24849464; 24888251; 162094241; 24885342
• PubChem CID: 6348
• CHEBI ID: 23012
• Chemspider ID: 6108
• KEGG ID: C19033
• Unique Ingredient Identifier: S54S8B99E8
• Wikipedia Title: Carbon_disulfide

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.945582
• LogD (pH = 7.4): 1.945582
• Log P: 1.945582
• Molar Refractivity: 22.3662 cm^3
• Polarizability: 9.232426 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 2.9 g/kg (20 °C) in water
• Apperance: APHA: ≤10; colorless liquid; impure: light-yellow; Liquid
• Melting Point: -110.8°C; -112°C; -112°C; -112--111 °C(lit.)
• Boiling Point: 46 °C(lit.); 46°C; 46.3°C; 46°C
• Flash Point: 11 °C; -22 °F; -30 °C; -30°C(-22°F); -33°C; 51.8 °F
• Auto Ignition Point: 100°C; 212 °F; 90 °C
• Density: 0.994 g/mL at 25 °C; 1.26 g/mL at 20 °C; 1.261 g/cm^3; 1.263; 1.263 g/mL at 20 °C; 1.2632; 1.266 g/ml; 1.266 g/mL at 25 °C; 1.266 g/mL at 25 °C(lit.)
• Refractive Index: 1.6270; 1.6295; n20/D 1.627; n20/D 1.627(lit.)
• Vapor Pressure: 19.48 psi ( 55 °C); 296.241 mm Hg @ 20 deg C; 5.73 psi ( 20 °C); 5.83 psi ( 20 °C)
• Vapor Density: 2.67 (vs air); 2.67 g/L
• Absorption Wavelength: λ: 386 nm Amax: ≤1.0; λ: 386 nm Amax: 1.0; λ: 388 nm Amax: 0.50; λ: 394 nm Amax: 0.25; λ: 403 nm Amax: 0.10; λ: 410 nm Amax: 0.05; λ: 500-750 nm Amax: 0.01
• Viscosity: 0.363
• Odor: chloroform (pure) ; foul (commercial)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: FF6650000
• European Hazard Symbols: Extremely Flammable (F+); Flammable (F); Highly flammable (F+); Irritant (Xi); Nature polluting (N); Repr. Cat. 3; Toxic (T); Toxic (T)
• UN Number: 1131; 1230; 1992; UN1131
• German water hazard class: 1; 2; 3
• Hazard Class: 3; 6.1
• Packing Group: 1; 2; I; I (Truck Only)
• Australian Hazchem: 3WE
• Risk Statements: 11-19-36/37/38-48/23-62-63; 11-23/24/25-39/23/24/25; 11-23/24/25-39/23/24/25-48/20; 11-36/38-48/23-62-63; 23/24/25-39/23/24/25-48/20; 63-11-36/38-48/23-62; R:11-36/38-48/23-53-62-63; R11, R36/38, R48/23, R62, R63
• Safety Statements: 16-29-33-36/37-45; 16-33-36/37-45; 16-36/37-45; 36/37-45; 7-16-36/37-45; S:16-29-33-36/37-45; S1/2, S16, S33, S36/37, S45
• EU Classification: FT1
• EU Hazard Identification Number: 6.1A
• Emergency Response Guidebook(ERG) Number: 131
• TSCA Listed: 是
• EU Index: 006-003-00-3
• GHS Pictograms: GHS02; GHS06; GHS07; GHS08
• GHS Signal Word: Danger
• NFPA704:
  

  4

  3

  0
• LD50: 3188 mg/kg
• Explode Limits: 1.3–50%; 50 %
• GHS Hazard statements: H225-H301 + H311 + H331-H370; H225-H301-H311-H331-H370-H373; H225-H315-H319-H361fd-H372; H225-H372-H361-H302-H315-H319; H301-H311-H331-H370-H373
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P260-P280-P301 + P310-P311; P210-P281-P305 + P351 + P338-P314; P260-P280-P301 + P310-P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US); Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1131 3/PG 1; UN 1131 3/PG 2; UN 1230 3/PG 2; UN 1992 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0%; ≥99%; ≥99.0%; ≥99.0% (GC); ≥99.5%; ≥99.5% (GC); ≥99.8% (GC); ≥99.9%; ≥99.9% (GC); 99.8+%; 99.9%; 99.9+%
• Concentration: 200 μg/mL in methanol; 5 M in THF; 5000 μg/mL in methanol
• Grade: ACS; ACS reagent; analytical standard; anhydrous; CHROMASOLV®; CP; for HPLC; for IR spectroscopy; JIS special grade; puriss.; puriss. p.a.; purum; ReagentPlus®; SAJ first grade; SPECTRANAL™; spectrophotometric grade
• Isotopic Purity: 99.9 atom % 12C
• Packaging: ampule of 1 mL; ampule of 4 × 1 mL
• Suitability: passes test for IR spectroscopy; passes test for NMR; suitable for 8240 per US EPA; suitable for 8260 per US EPA
• Evaporation Residue: <0.0003%; <0.0005%; ≤0.002%
• Description: 13C-depleted
• Impurities: <0.005% water; <0.05% water; <1 ppm Benzene; <100 ppb benzene(No single impurity > 100 ppb, measured as benzene); <500 ppb total hydrocarbon content; ≤0.0001% H2S + foreign org. S-comp.; ≤0.001% non-volatile matter; ≤0.005% non-volatile matter; ≤0.01% water (Karl Fischer); ≤0.03% water; ≤0.05% water; ≤1 ppm benzene; ≤1 ppm toluene; ≤1.5 ppm hydrogen sulfide; ≤2.5 ppm sulfur dioxide; H2S, passes test(lim. ~1.5 ppm); SO2, passes test(lim ~2.5 ppm); SO2, passes test(lim. ~2.5 ppm)
• Cation Traces: Al: ≤0.5 mg/kg; Ba: ≤0.1 mg/kg; Bi: ≤0.1 mg/kg; Ca: ≤0.5 mg/kg; Cd: ≤0.05 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.02 mg/kg; Cu: ≤0.02 mg/kg; Fe: ≤0.1 mg/kg; K: ≤0.5 mg/kg; Li: ≤0.1 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Mo: ≤0.1 mg/kg; Na: ≤0.5 mg/kg; Ni: ≤0.1 mg/kg; Pb: ≤0.1 mg/kg; Sr: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• Antion Traces: sulfate (SO42-): ≤2.5 mg/kg; sulfite (SO32-): ≤10 mg/kg
• Purified By: glass distillation; redistillation
• Quality: low in benzene; purified
• Mol. Weight: mol wt 76.13 by atom % calculation
• λ: H2O reference
• Linear Formula: 12CS2
• Empirical Formula (Hill Notation): CS2

DETAILS

Sigma Aldrich - 492035

Packaging
500 mg in ampule
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

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Packaging
50 mL in Sure/Seal™

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Packaging
1 L in Sure/Seal™
100 mL in Sure/Seal™
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

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Packaging
1, 2 L in Sure/Seal™

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Application
Suitable for industrial hygiene analysis
Packaging
100 mL in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 676918

Packaging
1, 4 L in aluminum bottle

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Packaging
Packaged in safety cans

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Packaging
1, 2 L in Sure/Seal™
500 mL in Sure/Seal™
View returnable container options.

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Packaging
1 L in Sure/Seal™
100 mL in Sure/Seal™

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Packaging
1, 2 L in Sure/Seal™
100 mL in Sure/Seal™
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
Pure-Pac is a registered trademark of Sigma-Aldrich Co. LLC

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SPECTRANAL is a trademark of Sigma-Aldrich Laborchemikalien GmbH