Basic information
- CAS
1142-19-4- Standard SMILES
Clc1ccc(SSc2ccc(Cl)cc2)cc1- InChIKey
ZIXXRXGPBFMPFD-UHFFFAOYSA-N- Molecular formula
- C12H8Cl2S2
- Average molar mass
- 287.2 g/mol
- Monoisotopic mass
- 285.944448
Names & identifiers
- Preferred name
- Bis(p-chlorophenyl)disulfide
- IUPAC
- 1-chloro-4-[(4-chlorophenyl)disulfanyl]benzene
- English name
- 4,4'-Dichlorodiphenyl disulfide
- Molecular formula
- C12H8Cl2S2
- Molecular weight
- 287.23
Names & synonyms
1142-19-4Bis(4-chlorophenyl) disulfide4,4'-Dichlorodiphenyl disulfideDisulfide, bis(4-chlorophenyl)Di(p-chlorophenyl) disulfideDDDS (pesticide)Disulfide, bis(p-chlorophenyl)p-Chlorophenyl disulfide4-Chlorophenyl disulfideBis(p-chlorophenyl) disulfidep,p'-Dichlorodiphenyl disulfideBis(4-chlorophenyl) disulphide
Show more names
1,2-Bis(4-chlorophenyl)disulfaneDDDSAURORA KA-6540ddds[pesticide]4,4'-DICHLORODIPHENY4,4'-Dichlorodiphenyl
BIS(P-CHLOROPHENYL)DISULFIDENSC 32025NSC 677444HSDB 2791EINECS 214-531-2NMT539C7LNNSC-32025AI3-16362
Database identifiers
- CAS
1142-19-4- PubChem CID
- 14360
- DTXSID
DTXSID7061562- ChEMBL
CHEMBL121019- UNII
- NMT539C7LN
- EC Number
- 214-531-2
- Nikkaji
- J7.277J
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 175
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Sulfur Compounds
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Vapor Pressure0.00000364 [mmHg]
Physical DescriptionInsoluble in water; [ChemIDplus] Yellow crystalline flakes; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 71 · 71-74 °C(lit.)
- Boiling point
- 180 °C · 180 °C / 2mmHg
- Density
- 1.304 g/cm3 · 1.304 g/cm3(Temp: 102.3 °C)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Methanol
- form
- Solid
- color
- Light Yellow
- BRN
- 1644663 · 1644663
- InChI
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryEmergency treatment: Mustard gas; Impure sulfur mustard is called H; Distilled sulfur mustard is called HD; [HSDB] May cause irritation; [Alfa Aesar MSDS] See Bis(2-chloroethyl)sulfide.
Safety & protection
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- JO0766000
- hs_code
- 29309090
- Toxicity
- mouse,LD50,oral,> 3gm/kg (3000mg/kg),"Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 4, Pg. 65, 1969.
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
Disulfide, bis(4-chlorophenyl): INACTIVE
TESTED AS ASCARICIDE, BUT NEVER MARKETED
Applications
UsesBis(4-chlorophenyl) disulfide may be used to synthesize non-symmetrical heterodimer 4-chlorophenyl-2′-nitrophenyl disulfide.
General DescriptionBis(4-chlorophenyl) disulphide can be synthesized from 4-chlorophenylthiol via oxidation. It produces poly(p-phenylene sulfide), via thermolysis. Bis(4-chlorophenyl) disulfide can also be prepared by a microwave assisted method involving the reaction between respective elemental sulfur and 1-chloro-4-iodobenzene in the presence of CuO nanopowder (catalyst).
Upstream & downstream products
Upstream raw materials
Related reactions
4 records
Compound notes
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