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4,5-Dichloro-1,2-dithiol-3-one

4,5-Dichloro-1,2-dithiol-3-one structure

CAS No:
1192-52-5
Formula:
C3Cl2OS2
Chemical Name:
4,5-Dichloro-1,2-dithiol-3-one
Synonyms:
3H-1,2-Dithiol-3-one,4,5-dichloro-;1,2-Dithiol-3-one,dichloro-;4,5-Dichloro-3H-1,2-dithiol-3-one;4,5-Dichloro-1,2-dithiacyclopentenone;4,5-Dichloro-1,2-dithiol-3-one;HR 45;NSC 135976;Dithiol;Daracide 7816;RYH 86;RYH 86Ex;Daracide 816-12;Daracide 7802;Microban 86;119791-59-2;141788-24-1;79203-63-7;171758-57-9
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Solid

4,5-Dichloro-1,2-dithiol-3-one Basic Attributes

Molecular Weight：

187.07

Exact Mass：

187.07

EC Number：

214-754-5

UNII：

N864R2B87O

NSC Number：

135976

DSSTox ID：

DTXSID6032518

HScode：

2930909090

Characteristics

PSA：

73.55000

XLogP3：

1.16

Appearance：

Solid

Density：

1.8±0.1 g/cm3

Melting Point：

61 °C

Boiling Point：

125 °C @ Press: 11 Torr

Flash Point：

200 °C

Refractive Index：

1.701

Water Solubility：

1390 mg/L @ 25 °C (est)

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

2811

wgk germany：

hazard class code：

R25

safety instructions：

36/37/39-45

Marks：

Precautionary statement(s)：

P261-P273-P301 + P310

Hazard Statements：

H301-H315-H335-H400

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P312, P321, P330, P332+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4,5-dichloro-1,2-dithiol-3-one

Computed Properties

Molecular Weight:187.1
XLogP3:2.2
Hydrogen Bond Acceptor Count:3
Exact Mass:185.8767624
Monoisotopic Mass:185.8767624
Topological Polar Surface Area:67.7
Heavy Atom Count:8
Complexity:165
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4,5-Dichloro-1,2-dithiol-3-one

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
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4,5-Dichloro-1,2-dithiol-3-one

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