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Acetic acid, 2-thiocyanato-, ethyl ester

Acetic acid, 2-thiocyanato-, ethyl ester structure

CAS No:
5349-28-0
Formula:
C5H7NO2S
Chemical Name:
Acetic acid, 2-thiocyanato-, ethyl ester
Synonyms:
Acetic acid,2-thiocyanato-,ethyl ester;Acetic acid,thiocyanato-,ethyl ester;Ethyl thiocyanatoacetate;Ethyl thiocyanoacetate;REE (acetate);REE;NSC 1202;Thiocyanatoacetic acid ethyl ester;Ethyl 2-thiocyanatoacetate

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Acetic acid, 2-thiocyanato-, ethyl ester Basic Attributes

Molecular Weight：

145.18

Exact Mass：

145.18

NSC Number：

1202

DSSTox ID：

DTXSID80201674

Characteristics

PSA：

75.4

XLogP3：

1.2

Density：

1.252 (estimate)

Boiling Point：

110-115 °C @ Press: 5 Torr

Toxicity：

Oral-Mouse LD50: 52 mg/kg

Flammability characteristics：

Combustion produces toxic nitrogen oxide and sulfur oxide gas

Safety Information

Storage features：

The warehouse is ventilated, low temperature and dry; stored and transported separately from food materials

Precautionary statement(s)：

P264, P270, P301+P310, P321, P330, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301: Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501

Toxicity

Toxicity class：

highly toxic

Computed Properties

Molecular Weight:145.18
XLogP3:1.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:145.01974964
Monoisotopic Mass:145.01974964
Topological Polar Surface Area:75.4
Heavy Atom Count:9
Complexity:137
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Acetic acid, 2-thiocyanato-, ethyl ester

Basic Attributes
Characteristics
Safety Information
Toxicity
Computed Properties
Learn More Other Chemicals

Acetic acid, 2-thiocyanato-, ethyl ester

SDS

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