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5-(Chloromethyl)isothiazole

5-(Chloromethyl)isothiazole structure

CAS No:
1710-68-5
Formula:
C4H4ClNS
Chemical Name:
5-(Chloromethyl)isothiazole
Synonyms:
Isothiazole,5-(chloromethyl)-;5-(Chloromethyl)isothiazole;5-Chloromethylisothiazole

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5-(Chloromethyl)isothiazole Basic Attributes

Molecular Weight：

133.59926

Exact Mass：

133.60

DSSTox ID：

DTXSID90617060

Characteristics

PSA：

41.1

XLogP3：

1.4

Density：

1.338±0.06 g/cm3(Predicted)

Boiling Point：

90-92 °C @ Press: 18 Torr

Safety Information

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:133.60
XLogP3:1.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:132.9752980
Monoisotopic Mass:132.9752980
Topological Polar Surface Area:41.1
Heavy Atom Count:7
Complexity:59.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(Chloromethyl)isothiazole

Basic Attributes
Characteristics
Safety Information
Computed Properties

5-(Chloromethyl)isothiazole

SDS

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