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1,3-Dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione

1,3-Dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione structure

CAS No:
2099-73-2
Formula:
C7H7N5O4
Chemical Name:
1,3-Dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione
Synonyms:
1,3-Dimethyl-8-nitro-1H-purine-2,6(3H,9H)-dione;1,3-Dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione;1,3-dimethyl-8-nitroxanthine;1,3-dimethyl-8-nitro-7H-purine-2,6-dione;8-Nitrotheophylline;NSC25248;Oprea1_109179;CHEMBL10987;SCHEMBL515909;C7H7N5O4
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Yellow solid

1,3-Dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione Basic Attributes

Molecular Weight：

225.16200

Exact Mass：

225.05000

NSC Number：

25248|14354

DSSTox ID：

DTXSID50279860

HScode：

2933990090

Characteristics

PSA：

118.50000

XLogP3：

0.1

Density：

1.67g/cm3

Boiling Point：

535ºC at 760mmHg

Flash Point：

277.4ºC

Refractive Index：

1.659

Vapor Pressure：

1.6E-11mmHg at 25°C

Safety Information

safety instructions：

24/25

Precautionary statement(s)：

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, P501

Hazard Statements：

H302

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|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:225.16
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Exact Mass:225.04980372
Monoisotopic Mass:225.04980372
Topological Polar Surface Area:115
Heavy Atom Count:16
Complexity:366
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 1,3-Dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione

Wuhan Pnq Int Trade Co., Ltd Contact Supplier

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1,3-Dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione

Unit Price: $100 /KG EXW

CAS No.: 2099-73-2

Grade: Pharmaceutical grad

Content: 99%

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Guide of 1,3-Dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
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1,3-Dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione

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