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5-(Isothiocyanatomethyl)-1,3-benzodioxole

5-(Isothiocyanatomethyl)-1,3-benzodioxole structure

CAS No:
4430-47-1
Formula:
C9H7NO2S
Chemical Name:
5-(Isothiocyanatomethyl)-1,3-benzodioxole
Synonyms:
1,3-Benzodioxole,5-(isothiocyanatomethyl)-;Isothiocyanic acid,piperonyl ester;5-(Isothiocyanatomethyl)-1,3-benzodioxole;Piperonyl isothiocyanate;3,4-Methylenedioxybenzyl isothiocyanate;5-(Isothiocyanatomethyl)benzo[d][1,3]dioxole;1,3-Benzodioxol-5-ylmethyl isothiocyanate;1-(Isothiocyanatomethyl)-3,4-methylenedioxybenzene

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5-(Isothiocyanatomethyl)-1,3-benzodioxole Basic Attributes

Molecular Weight：

193.22200

Exact Mass：

193.22

DSSTox ID：

DTXSID20383640

HScode：

2932999099

Characteristics

PSA：

62.91000

XLogP3：

2.01810

Density：

1.32

Melting Point：

85-87 °C

Boiling Point：

139-140ºC (1 torr)

Flash Point：

147.6ºC

Refractive Index：

1.615

Water Solubility：

Hydrolyses in water.

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

UN 2810

hazard class code：

R20/21/22;R36/37/38

safety instructions：

S26-S36/37/39

Marks：

Xn:Harmful;

Precautionary statement(s)：

P260, P261, P264, P270, P271, P280, P284, P301+P310, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P312, P320, P321, P322, P330, P361, P363, P403+P233, P405, P501

Hazard Statements：

H301

Computed Properties

Molecular Weight:193.22
XLogP3:3.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:193.01974964
Monoisotopic Mass:193.01974964
Topological Polar Surface Area:62.9
Heavy Atom Count:13
Complexity:228
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: formula urea; cyclobutane; sodium hypochlorite sds; acrylic polymer; sulfite formula; ch2f2

Guide of 5-(Isothiocyanatomethyl)-1,3-benzodioxole

Basic Attributes
Characteristics
Safety Information
Computed Properties

5-(Isothiocyanatomethyl)-1,3-benzodioxole

SDS

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