Carbon disulfide

Carbon disulfide
Names
	IUPAC name Carbon disulfide
	Systematic IUPAC name Methanedithione
	Other names Carbon bisulfide; Dithiocarbonic anhydride
Identifiers
CAS Number	75-15-0 ;
3D model (JSmol)	Interactive image;
Beilstein Reference	1098293
ChEBI	CHEBI:23012 ;
ChEMBL	ChEMBL1365180;
ChemSpider	6108 ;
ECHA InfoCard	100.000.767
EC Number	200-843-6;
KEGG	C19033 ;
PubChem CID	6348;
RTECS number	FF6650000;
UNII	S54S8B99E8 ;
UN number	1131
CompTox Dashboard (EPA)	DTXSID6023947 ;
	InChI InChI=1S/CS2/c2-1-3 Key: QGJOPFRUJISHPQ-UHFFFAOYSA-N ; InChI=1/CS2/c2-1-3 Key: QGJOPFRUJISHPQ-UHFFFAOYAS;
	SMILES S=C=S;
Properties
Chemical formula	CS2
Molar mass	76.13 g·mol−1
Appearance	Colorless liquid; Impure: light-yellow
Odor	Pleasant, ether- or chloroform-like; Commercial: Foul, like rotten radish
Density	1.539 g/cm3 (−186°C); 1.2927 g/cm3 (0 °C); 1.266 g/cm3 (25 °C)
Melting point	−111.61 °C (−168.90 °F; 161.54 K)
Boiling point	46.24 °C (115.23 °F; 319.39 K)
Solubility in water	2.58 g/L (0 °C); 2.39 g/L (10 °C); 2.17 g/L (20 °C); 0.14 g/L (50 °C)
Solubility	Soluble in alcohol, ether, benzene, oil, CHCl3, CCl4
Solubility in formic acid	4.66 g/100 g
Solubility in dimethyl sulfoxide	45 g/100 g (20.3 °C)
Vapor pressure	48.1 kPa (25 °C); 82.4 kPa (40 °C)
Magnetic susceptibility (χ)	−42.2·10−6 cm3/mol
Refractive index (nD)	1.627
Viscosity	0.436 cP (0 °C); 0.363 cP (20 °C)
Structure
Molecular shape	Linear
Dipole moment	0 D (20 °C)
Thermochemistry
Heat capacity (C)	75.73 J/(mol·K)
Std molar; entropy (S⦵298)	151 J/(mol·K)
Std enthalpy of; formation (ΔfH⦵298)	88.7 kJ/mol
Gibbs free energy (ΔfG⦵)	64.4 kJ/mol
Std enthalpy of; combustion (ΔcH⦵298)	1687.2 kJ/mol
Hazards
	Occupational safety and health (OHS/OSH):
Inhalation hazards	Irritant; neurotoxic
Eye hazards	Irritant
Skin hazards	Irritant
	GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H225, H315, H319, H361, H372
Precautionary statements	P210, P281, P305+P351+P338, P314; ICSC 0022
NFPA 704 (fire diamond)	3 4 0
Flash point	−43 °C (−45 °F; 230 K)
Autoignition; temperature	102 °C (216 °F; 375 K)
Explosive limits	1.3–50%
	Lethal dose or concentration (LD, LC):
LD50 (median dose)	3188 mg/kg (rat, oral)
LC50 (median concentration)	>1670 ppm (rat, 1 h); 15500 ppm (rat, 1 h); 3000 ppm (rat, 4 h); 3500 ppm (rat, 4 h); 7911 ppm (rat, 2 h); 3165 ppm (mouse, 2 h)
LCLo (lowest published)	4000 ppm (human, 30 min)
	NIOSH (US health exposure limits):
PEL (Permissible)	TWA 20 ppm C 30 ppm 100 ppm (30-minute maximum peak)
REL (Recommended)	TWA 1 ppm (3 mg/m3) ST 10 ppm (30 mg/m3) [skin]
IDLH (Immediate danger)	500 ppm
Related compounds
Related compounds	Carbon dioxide; Carbonyl sulfide; Carbon diselenide
Supplementary data page
	Carbon disulfide (data page)
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Carbon disulfide (also spelled as carbon disulphide) is an inorganic compound with the chemical formula CS₂ and structure S=C=S. It is also considered as the anhydride of thiocarbonic acid.^[8] It is a colorless, flammable, neurotoxic liquid that is used as a building block in organic synthesis. Pure carbon disulfide has a pleasant, ether- or chloroform-like odor, but commercial samples are usually yellowish and are typically contaminated with foul-smelling impurities.^[9]

^ Anhydride "Dithiocarbonic". PubChem. Retrieved August 24, 2022. {{cite web}}: Check |url= value (help)
^ ^a ^b ^c ^d ^e ^f ^g ^h ⁱ ^j ^k "Properties of substance: carbon disulfide". chemister.ru.
^ Seidell, Atherton; Linke, William F. (1952). Solubilities of Inorganic and Organic Compounds. Van Nostrand.
^ ^a ^b Carbon disulfide in Linstrom, Peter J.; Mallard, William G. (eds.); NIST Chemistry WebBook, NIST Standard Reference Database Number 69, National Institute of Standards and Technology, Gaithersburg (MD) (retrieved 2014-05-27).
^ ^a ^b Sigma-Aldrich Co., Carbon disulfide. Retrieved on 2014-05-27.
^ ^a ^b ^c ^d NIOSH Pocket Guide to Chemical Hazards. "#0104". National Institute for Occupational Safety and Health (NIOSH).
^ ^a ^b "Carbon disulfide". Immediately Dangerous to Life or Health Concentrations (IDLH). National Institute for Occupational Safety and Health (NIOSH).
^ Informatics, NIST Office of Data and. "Carbon disulfide". webbook.nist.gov. Retrieved 2024-05-07.
^ Holleman, Arnold Frederik; Wiberg, Egon (2001), Wiberg, Nils (ed.), Inorganic Chemistry, translated by Eagleson, Mary; Brewer, William, San Diego/Berlin: Academic Press/De Gruyter, ISBN 0-12-352651-5.

[1] Anhydride "Dithiocarbonic". PubChem. Retrieved August 24, 2022. {{cite web}}: Check |url= value (help)

[chemister-2] ^ ^a ^b ^c ^d ^e ^f ^g ^h ⁱ ^j ^k "Properties of substance: carbon disulfide". chemister.ru.

[sioc-3] Seidell, Atherton; Linke, William F. (1952). Solubilities of Inorganic and Organic Compounds. Van Nostrand.

[nist-4] Carbon disulfide in Linstrom, Peter J.; Mallard, William G. (eds.); NIST Chemistry WebBook, NIST Standard Reference Database Number 69, National Institute of Standards and Technology, Gaithersburg (MD) (retrieved 2014-05-27).

[sigma-5] Sigma-Aldrich Co., Carbon disulfide. Retrieved on 2014-05-27.

[PGCH-6] NIOSH Pocket Guide to Chemical Hazards. "#0104". National Institute for Occupational Safety and Health (NIOSH).

[IDLH-7] "Carbon disulfide". Immediately Dangerous to Life or Health Concentrations (IDLH). National Institute for Occupational Safety and Health (NIOSH).

[8] Informatics, NIST Office of Data and. "Carbon disulfide". webbook.nist.gov. Retrieved 2024-05-07.

[Holleman-9] Holleman, Arnold Frederik; Wiberg, Egon (2001), Wiberg, Nils (ed.), Inorganic Chemistry, translated by Eagleson, Mary; Brewer, William, San Diego/Berlin: Academic Press/De Gruyter, ISBN 0-12-352651-5.

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Names


IUPAC name Carbon disulfide
Systematic IUPAC name Methanedithione
Other names Carbon bisulfide Dithiocarbonic anhydride^[1]
Identifiers
CAS Number	75-15-0^Y
3D model (JSmol)	Interactive image
Beilstein Reference	1098293
ChEBI	CHEBI:23012^Y
ChEMBL	ChEMBL1365180
ChemSpider	6108^Y
ECHA InfoCard	100.000.767
EC Number	200-843-6
KEGG	C19033^Y
PubChem CID	6348
RTECS number	FF6650000
UNII	S54S8B99E8^Y
UN number	1131
CompTox Dashboard (EPA)	DTXSID6023947
InChI InChI=1S/CS2/c2-1-3^Y Key: QGJOPFRUJISHPQ-UHFFFAOYSA-N^Y InChI=1/CS2/c2-1-3 Key: QGJOPFRUJISHPQ-UHFFFAOYAS
SMILES S=C=S
Properties
Chemical formula	CS₂
Molar mass	76.13 g·mol⁻¹
Appearance	Colorless liquid Impure: light-yellow
Odor	Pleasant, ether- or chloroform-like Commercial: Foul, like rotten radish
Density	1.539 g/cm³ (−186°C) 1.2927 g/cm³ (0 °C) 1.266 g/cm³ (25 °C)^[2]
Melting point	−111.61 °C (−168.90 °F; 161.54 K)
Boiling point	46.24 °C (115.23 °F; 319.39 K)
Solubility in water	2.58 g/L (0 °C) 2.39 g/L (10 °C) 2.17 g/L (20 °C)^[3] 0.14 g/L (50 °C)^[2]
Solubility	Soluble in alcohol, ether, benzene, oil, CHCl₃, CCl₄
Solubility in formic acid	4.66 g/100 g^[2]
Solubility in dimethyl sulfoxide	45 g/100 g (20.3 °C)^[2]
Vapor pressure	48.1 kPa (25 °C) 82.4 kPa (40 °C)^[4]
Magnetic susceptibility (χ)	−42.2·10⁻⁶ cm³/mol
Refractive index (n_D)	1.627^[5]
Viscosity	0.436 cP (0 °C) 0.363 cP (20 °C)
Structure
Molecular shape	Linear
Dipole moment	0 D (20 °C)^[2]
Thermochemistry
Heat capacity (C)	75.73 J/(mol·K)^[2]
Std molar entropy (S^⦵₂₉₈)	151 J/(mol·K)^[2]
Std enthalpy of formation (Δ_fH^⦵₂₉₈)	88.7 kJ/mol^[2]
Gibbs free energy (Δ_fG^⦵)	64.4 kJ/mol^[2]
Std enthalpy of combustion (Δ_cH^⦵₂₉₈)	1687.2 kJ/mol^[4]
Hazards
Occupational safety and health (OHS/OSH):
Inhalation hazards	Irritant; neurotoxic
Eye hazards	Irritant
Skin hazards	Irritant
GHS labelling:^[5]
Pictograms
Signal word	Danger
Hazard statements	H225, H315, H319, H361, H372
Precautionary statements	P210, P281, P305+P351+P338, P314 ICSC 0022
NFPA 704 (fire diamond)	3 4 0
Flash point	−43 °C (−45 °F; 230 K)^[2]
Autoignition temperature	102 °C (216 °F; 375 K)^[2]
Explosive limits	1.3–50%^[6]
Lethal dose or concentration (LD, LC):
LD₅₀ (median dose)	3188 mg/kg (rat, oral)
LC₅₀ (median concentration)	>1670 ppm (rat, 1 h) 15500 ppm (rat, 1 h) 3000 ppm (rat, 4 h) 3500 ppm (rat, 4 h) 7911 ppm (rat, 2 h) 3165 ppm (mouse, 2 h)^[7]
LC_Lo (lowest published)	4000 ppm (human, 30 min)^[7]
NIOSH (US health exposure limits):
PEL (Permissible)	TWA 20 ppm C 30 ppm 100 ppm (30-minute maximum peak)^[6]
REL (Recommended)	TWA 1 ppm (3 mg/m³) ST 10 ppm (30 mg/m³) [skin]^[6]
IDLH (Immediate danger)	500 ppm^[6]
Related compounds
Related compounds	Carbon dioxide Carbonyl sulfide Carbon diselenide
Supplementary data page
Carbon disulfide (data page)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is ^YN ?) Infobox references