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4,4′-Dinitrodiphenylamine

4,4′-Dinitrodiphenylamine structure

CAS No:
1821-27-8
Formula:
C12H9N3O4
Chemical Name:
4,4′-Dinitrodiphenylamine
Synonyms:
Benzenamine,4-nitro-N-(4-nitrophenyl)-;Diphenylamine,4,4′-dinitro-;4-Nitro-N-(4-nitrophenyl)benzenamine;4,4′-Dinitrodiphenylamine;Bis(p-nitrophenyl)amine;Bis(4-nitrophenyl)amine;NSC 36659;N,N-Bis(4-nitrophenyl)amine
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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4,4′-Dinitrodiphenylamine Basic Attributes

Molecular Weight：

259.21800

Exact Mass：

259.22

EC Number：

217-343-9

NSC Number：

36659

DSSTox ID：

DTXSID20171246

HScode：

2921499090

Characteristics

PSA：

103.67000

XLogP3：

4.36600

Appearance：

Redish-Brown Crystalline Solid

Density：

1.446 g/cm3

Melting Point：

216 °C

Boiling Point：

464.1ºC at 760 mmHg

Flash Point：

234.4ºC

Refractive Index：

1.693

Vapor Pressure：

8.63E-09mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:259.22
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:259.05930578
Monoisotopic Mass:259.05930578
Topological Polar Surface Area:104
Heavy Atom Count:19
Complexity:291
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 1821-27-8

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Guide of 4,4′-Dinitrodiphenylamine

Basic Attributes
Characteristics
Safety Information
Computed Properties
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