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1,1′-[Methylenebis(thio)]bis[benzene]

1,1′-[Methylenebis(thio)]bis[benzene] structure

CAS No:
3561-67-9
Formula:
C13H12S2
Chemical Name:
1,1′-[Methylenebis(thio)]bis[benzene]
Synonyms:
Benzene,1,1′-[methylenebis(thio)]bis-;Methane,bis(phenylthio)-;1,1′-[Methylenebis(thio)]bis[benzene];Bis(phenylthio)methane;Formaldehyde diphenyl mercaptal;Formaldehyde bis(phenylthio) acetal;Formaldehyde diphenyl dithioacetal;Di(phenylthio)methane;NSC 65477;Bis(phenylsulfanyl)methane

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Description

light yellow crystalline powder

1,1′-[Methylenebis(thio)]bis[benzene] Basic Attributes

Molecular Weight：

232.36

Exact Mass：

232.36

BRN：

1874146

EC Number：

222-624-4

NSC Number：

65477

DSSTox ID：

DTXSID20189083

HScode：

2930909090

Characteristics

PSA：

50.6

XLogP3：

5.2

Density：

1.2±0.1 g/cm3

Melting Point：

35-36 °C

Boiling Point：

194 °C @ Press: 8 Torr

Flash Point：

>230 °F

Refractive Index：

1.661

Water Solubility：

Insoluble in water.

Safety Information

Hazard category：

STENCH

Transport codes：

UN 3335

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1,1′-[Methylenebis(thio)]bis[benzene] Use and Manufacturing

Methods of Manufacturing

Dissolve thiophenol in absolute ethanol, add sodium hydroxide to make sodium thiophenolate ethanol solution, and add diiodomethane to control the temperature not to exceed 80°C. After the addition is complete, heat to reflux for 1 hour. Evaporate most of the ethanol, add water and ether to dissolve the layers. The ether layer is alkali washed, washed with water, and dried. The ether is evaporated to obtain the crude product, which is recrystallized with petroleum ether to obtain the finished product bis(phenylthio)methane with a yield of 80 %.

Uses

Organic synthesis intermediate.

Computed Properties

Molecular Weight:232.4
XLogP3:5.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:232.03804273
Monoisotopic Mass:232.03804273
Topological Polar Surface Area:50.6
Heavy Atom Count:15
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,1′-[Methylenebis(thio)]bis[benzene]

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

1,1′-[Methylenebis(thio)]bis[benzene]

SDS

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