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Diphenyl disulfide

Diphenyl disulfide structure

CAS No:
882-33-7
Formula:
C12H10S2
Chemical Name:
Diphenyl disulfide
Synonyms:
Disulfide,diphenyl;Phenyl disulfide;Diphenyl disulfide;Biphenyl disulfide;Diphenyl disulphide;NSC 2689;DPDS;1,2-Diphenyldisulfane;(Phenyldisulfanyl)benzene;1,1′-Dithiodibenzene;1071709-24-4;1195339-75-3
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

White to light yellow crystal.

Diphenyl disulfide is the chemical compound with the formula (C6H5S)2. This colorless crystalline material is often abbreviated Ph2S2. It is one of the most popular organic disulfides used in organic synthesis. Minor contamination by thiophenol is responsible for the disagreeable odour associated with this compound.

Solid|orthorhombic needles

Diphenyl disulfide is a member of benzenes.

Diphenyl disulfide Basic Attributes

Molecular Weight：

218.34

Exact Mass：

218.34

EC Number：

212-926-4

UNII：

7P54H519IJ

NSC Number：

2689

DSSTox ID：

DTXSID6022131

HScode：

2930909090

Characteristics

PSA：

50.6

XLogP3：

4.4

Appearance：

Solid

Density：

1.110 g/cm³ @ Temp: 118.0 °C

Melting Point：

62 °C

Boiling Point：

310 °C

Flash Point：

177.8±20.8 °C

Refractive Index：

1.680

Water Solubility：

Insoluble in water.

Vapor Pressure：

2.20e-04 mmHg

Safety Information

Packing level：

Ⅲ

Transport codes：

3077

wgk germany：

hazard class code：

safety instructions：

S26-S37/39

RTECS Number：

SS6825000

Marks：

Xi:Irritant

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents, strong bases.

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H315-H319-H335-H410

RIDADR：

UN 3335

GHS Classification：

|Warning|H315 (99.28%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 138 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P301+P312, P314, P330, and P501

Toxicity

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
OTHER MULTIPLE DOSE TOXICITY DATA	TDLo - Lowest published toxic dose	Oral	Rodent - rat	764 mg/kg/7D-I	Endocrine--changes in spleen weight Blood--pigmented or nucleated red blood cells Nutritional and Gross Metabolic--changes in iron	JAT, Journal of Applied Toxicology. (John Wiley & Sons Ltd., Baffins Lane, Chichester, W. Sussex PO19 1UD, UK) V.1- 1981- Volume(issue)/page/year: 5,414,1985

Drug Information

MeSH Entry Terms：

diphenyl disulfide

Diphenyl disulfide Use and Manufacturing

Manufacturing Info：

Disulfide, diphenyl: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:218.3
XLogP3:4.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:218.02239267
Monoisotopic Mass:218.02239267
Topological Polar Surface Area:50.6
Heavy Atom Count:14
Complexity:128
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

78411-33-3

105495-14-5

49591-20-0

31600-54-1

94600-72-3

106673-33-0

16906-70-0

20057-88-9

53144-50-6

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