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NSC360636

NSC360636 structure

CAS No:
55864-87-4
Formula:
C6H7N3O4
Chemical Name:
NSC360636
Synonyms:
NSC360636;Ethyl4-nitro-1H-pyrazole-5-carboxylate;BAS 00396152;Ethyl 4-nitro-2H-pyrazole-3-carboxylate;MFCD00464008;STOCK1S-61687;ZINC01514296;Ethyl 4-nitropyrazole-3-carboxylate

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NSC360636 Basic Attributes

Molecular Weight：

185.14

Exact Mass：

185.04365571 g/mol

NSC Number：

360636

DSSTox ID：

DTXSID70320520

HScode：

2933199090

Characteristics

PSA：

100.80000

XLogP3：

1.01780

Density：

1.455±0.06 g/cm3

Melting Point：

124-126 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))

Boiling Point：

365.0±22.0 °C(Predicted)

Flash Point：

174.559ºC

Refractive Index：

1.57

PKA：

6.67±0.50

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:185.14
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:185.04365571
Monoisotopic Mass:185.04365571
Topological Polar Surface Area:101
Heavy Atom Count:13
Complexity:214
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of NSC360636

Basic Attributes
Characteristics
Safety Information
Computed Properties

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