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1-Ethoxy-4-isothiocyanatobenzene

1-Ethoxy-4-isothiocyanatobenzene structure

CAS No:
3460-49-9
Formula:
C9H9NOS
Chemical Name:
1-Ethoxy-4-isothiocyanatobenzene
Synonyms:
Benzene,1-ethoxy-4-isothiocyanato-;Isothiocyanic acid,p-ethoxyphenyl ester;Phenetole,p-isothiocyanato-;1-Ethoxy-4-isothiocyanatobenzene;p-Ethoxyphenyl isothiocyanate;4-Ethoxyphenyl isothiocyanate;NSC 108217;1-Isothiocyanato-4-ethoxybenzene

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1-Ethoxy-4-isothiocyanatobenzene Basic Attributes

Molecular Weight：

179.24

Exact Mass：

179.24

BRN：

637526

EC Number：

222-410-0

NSC Number：

108217

DSSTox ID：

DTXSID00188175

HScode：

2930909090

Characteristics

PSA：

53.7

XLogP3：

4.12

Density：

1.1±0.1 g/cm3

Melting Point：

62 °C

Boiling Point：

153-154 °C @ Press: 15 Torr

Flash Point：

>110°C

Refractive Index：

1.545

Safety Information

Packing level：

III

Hazard category：

Transport codes：

2811

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39

Marks：

C,T,Xi

Hazard note：

Toxic/Corrosive/Lachrymatory/Moisture Sensitive

Precautionary statement(s)：

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

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (28.57%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P310, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:179.24
XLogP3:3.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:179.04048508
Monoisotopic Mass:179.04048508
Topological Polar Surface Area:53.7
Heavy Atom Count:12
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Ethoxy-4-isothiocyanatobenzene

Basic Attributes
Characteristics
Safety Information
Computed Properties

1-Ethoxy-4-isothiocyanatobenzene

SDS

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