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Nitroscanate

Nitroscanate structure

CAS No:
19881-18-6
Formula:
C13H8N2O3S
Chemical Name:
Nitroscanate
Synonyms:
Benzene,1-isothiocyanato-4-(4-nitrophenoxy)-;Isothiocyanic acid,p-(p-nitrophenoxy)phenyl ester;1-Isothiocyanato-4-(4-nitrophenoxy)benzene;4-Nitro-4′-isothiocyanatodiphenyl ether;Nitroscanate;Cantrodifene;Lopatol;4-(4-Nitrophenoxy)phenyl isothiocyanate
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Nitroscanate Basic Attributes

Molecular Weight：

272.28 g/mol

Exact Mass：

272.28

EC Number：

243-393-6

UNII：

P4IE5B6D6U

DSSTox ID：

DTXSID9048772

Characteristics

PSA：

99.5 Å²

Melting Point：

110 °C

Safety Information

GHS Classification：

|Warning|H319 (97.56%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P273, P280, P305+P351+P338, P337+P313, P391, and P501|Aggregated GHS information provided by 42 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-nitro-4'-isothiocyanodiphenyl ether

Computed Properties

Molecular Weight:272.28
XLogP3:5.1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:272.02556330
Monoisotopic Mass:272.02556330
Topological Polar Surface Area:99.5
Heavy Atom Count:19
Complexity:349
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes