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Diphenyl sulfide

Diphenyl sulfide structure

CAS No:
139-66-2
Formula:
C12H10S
Chemical Name:
Diphenyl sulfide
Synonyms:
Benzene,1,1′-thiobis-;Phenyl sulfide;1,1′-Thiobis[benzene];Diphenyl sulfide;Diphenyl sulphide;Diphenyl thioether;Diphenyl monosulfide;Diphenylmercaptan;Phenylthiobenzene;NSC 4568;Diphenylsulfane;(Phenylsulfanyl)benzene
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Description

colourless liquidChEBI: An aryl sulfide that consists of two phenyl groups connected by a sulphur atom.

Liquid

Diphenyl sulfide is an aryl sulfide that consists of two phenyl groups connected by a sulphur atom.

Diphenyl sulfide Basic Attributes

Molecular Weight：

186.272

Exact Mass：

186.27

EC Number：

205-371-4

UNII：

B5P3Y93MNR

NSC Number：

4568

DSSTox ID：

DTXSID8044383

HScode：

2930 90 98

Characteristics

PSA：

25.3

XLogP3：

4.5

Appearance：

Liquid

Density：

1.1136 g/cm³ @ Temp: 20 °C

Melting Point：

-25.9 °C

Boiling Point：

296 °C

Flash Point：

>230 °F

Refractive Index：

n 20/D 1.6327(lit.)

Water Solubility：

soluble in ether, benzene, carbon disulphide.

Vapor Pressure：

0.01 hPa (25 °C)

Toxicity：

LD50 orally in rats: 0.49 ml/kg (Smyth)

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 3082 9/PG 3

wgk germany：

hazard class code：

R22;R36/38

safety instructions：

23-28-60-61-37/39-26

RTECS Number：

SX2275000

Marks：

Xn,N

Stability/Shelf Life：

Stable. Combustible. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P273-P501

Hazard Statements：

H302-H315-H410

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P280, P301+P312, P302+P352, P321, P330, P332+P313, P362, P391, and P501|Aggregated GHS information provided by 207 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

diphenyl sulfide

Diphenyl sulfide Use and Manufacturing

Uses

Diphenyl Sulfide is an aromatic organosulfur compound. Diphenyl Sulfide is metabolite of the fungicide Edifenphos as well as a potential Impurity of Fenticonazole Nitrate (F279250).

Intermediates

Manufacturing Info：

Pesticide, fertilizer, and other agricultural chemical manufacturing|Benzene, 1,1'-thiobis-: ACTIVE

Computed Properties

Molecular Weight:186.27
XLogP3:4.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:186.05032149
Monoisotopic Mass:186.05032149
Topological Polar Surface Area:25.3
Heavy Atom Count:13
Complexity:116
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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