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6-CHLOROTHIOCHROMAN-4-ONE

6-CHLOROTHIOCHROMAN-4-ONE structure

CAS No:
13735-12-1
Formula:
C9H7ClOS
Chemical Name:
6-CHLOROTHIOCHROMAN-4-ONE
Synonyms:
6-CHLORO-2,3-DIHYDRO-4H-THIOCHROMEN-4-ONE;6-CHLORO-3,4-DIHYDRO-2H-1-BENZOTHIIN-4-ONE;6-CHLOROTHIOCHROMAN-4-ONE;6-CHLOROTHIOCHROMANONE;BUTTPARK 35\07-31;6-chloro-2,3-dihydrothiochromen-4-one

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6-CHLOROTHIOCHROMAN-4-ONE Basic Attributes

Molecular Weight：

198.67

Exact Mass：

197.99100

BRN：

124621

EC Number：

-0

NSC Number：

64354

DSSTox ID：

DTXSID30289801

HScode：

2932999099

Characteristics

PSA：

42.4

XLogP3：

3.01850

Density：

1.377±0.06 g/cm3(Predicted)

Melting Point：

67-71 °C(lit.)

Boiling Point：

342.7±42.0 °C(Predicted)

Flash Point：

161.1ºC

Refractive Index：

1.634

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

36/37

Marks：

Precautionary statement(s)：

P280

Hazard Statements：

H317

GHS Classification：

|Warning|H317 (90.48%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:198.67
XLogP3:2.5
Hydrogen Bond Acceptor Count:2
Exact Mass:197.9906137
Monoisotopic Mass:197.9906137
Topological Polar Surface Area:42.4
Heavy Atom Count:12
Complexity:195
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-CHLOROTHIOCHROMAN-4-ONE

Basic Attributes
Characteristics
Safety Information
Computed Properties

6-CHLOROTHIOCHROMAN-4-ONE

SDS

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