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Thiocyanic acid, 2-(3-nitrophenyl)-2-oxoethyl ester

Thiocyanic acid, 2-(3-nitrophenyl)-2-oxoethyl ester structure

CAS No:
6097-22-9
Formula:
C9H6N2O3S
Chemical Name:
Thiocyanic acid, 2-(3-nitrophenyl)-2-oxoethyl ester
Synonyms:
Thiocyanic acid,2-(3-nitrophenyl)-2-oxoethyl ester;Thiocyanic acid,m-nitrophenacyl ester;1-(3-Nitrophenyl)-2-thiocyanatoethanone;[2-(3-Nitrophenyl)-2-oxoethyl] thiocyanate;2-(3-Nitrophenyl)-2-oxoethyl thiocyanate;2-(Cyanosulfanyl)-1-(3-nitrophenyl)ethan-1-one

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Thiocyanic acid, 2-(3-nitrophenyl)-2-oxoethyl ester Basic Attributes

Molecular Weight：

222.22100

Exact Mass：

222.22

DSSTox ID：

DTXSID80407659

HScode：

2930909090

Characteristics

PSA：

111.98000

XLogP3：

2.51498

Density：

1.418 g/cm3

Melting Point：

123.6-124.2 °C

Boiling Point：

377.5ºC at 760 mmHg

Flash Point：

182.1ºC

Refractive Index：

1.624

Safety Information

Marks：

Precautionary statement(s)：

P261, P272, P280, P302+P352, P321, P333+P313, P363, P501

Hazard Statements：

H317

GHS Classification：

|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:222.22
XLogP3:2.2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:222.00991323
Monoisotopic Mass:222.00991323
Topological Polar Surface Area:112
Heavy Atom Count:15
Complexity:304
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Thiocyanic acid, 2-(3-nitrophenyl)-2-oxoethyl ester

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

Thiocyanic acid, 2-(3-nitrophenyl)-2-oxoethyl ester

SDS

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