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3,5-DICHLOROTHIOANISOLE

3,5-DICHLOROTHIOANISOLE structure

CAS No:
68121-46-0
Formula:
C7H6Cl2S
Chemical Name:
3,5-DICHLOROTHIOANISOLE
Synonyms:
1,3-DICHLORO-5-(METHYLTHIO)BENZENE;3,5-DICHLOROTHIOANISOLE;3,5-dichlorophenylmethylsulfide;(3,5-dichlorophenyl)(methyl)sulfane;1,3-dichloro-5-methylsulfanylbenzene;1,3-dichloro-5-methylsulfanyl-benzene;3,5-DICHLOROTHIOANIS
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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3,5-DICHLOROTHIOANISOLE Basic Attributes

Molecular Weight：

193.09

Exact Mass：

191.956726

DSSTox ID：

DTXSID50218310

HScode：

2930909090

Characteristics

PSA：

25.3

XLogP3：

3.88

Density：

1.4±0.1 g/cm3

Melting Point：

170-171 °C(Solv: benzene (71-43-2))

Boiling Point：

262-263 °C(lit.)

Flash Point：

>230 °F

Refractive Index：

1.603

Safety Information

Hazard category：

IRRITANT, STENCH

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Hazard note：

Irritant

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 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3,5-dichlorophenyl methyl sulfide

Computed Properties

Molecular Weight:193.09
XLogP3:3.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:191.9567268
Monoisotopic Mass:191.9567268
Topological Polar Surface Area:25.3
Heavy Atom Count:10
Complexity:97.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 68121-46-0

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