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8-Bromo-3-methyl-xanthine

8-Bromo-3-methyl-xanthine structure

CAS No:
93703-24-3
Formula:
C6H5BrN4O2
Chemical Name:
8-Bromo-3-methyl-xanthine
Synonyms:
3-Methyl-8-broMoxanthine;8-Bromo 2-methyl xanthine;8-Bromo-3-methyl-xanthine;8-broMo-3-Methyl-1H-purine-2,6(3H,7H);8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione;8-Bromo-3,9-dihydro-3-methyl-1H-purine-2,6-dione;1H-Purine-2,6-dione,8-broMo-3,9-dihydro-3-Methyl-;1H-purine-2,6-dione, 8-broMo-3,7-dihydro-3-Methyl-;8-Bromo-3-methylxanthine 8-Bromo-3-methyl-3,7-dihydropurine-2,6-dione
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Light yellow solid

8-Bromo-3-methyl-xanthine Basic Attributes

Molecular Weight：

245.0335

Exact Mass：

243.959579

EC Number：

1312995-182-4

DSSTox ID：

DTXSID50364285

HScode：

2933990090

Characteristics

PSA：

78.1

XLogP3：

-0.63

Density：

1.974

Melting Point：

300°C(lit.)

Refractive Index：

1.662

Safety Information

hazard class code：

safety instructions：

26-36/37/39

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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

8-Bromo-3-methyl-xanthine Use and Manufacturing

Liragliptin intermediate

Computed Properties

Molecular Weight:245.03
XLogP3:0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:243.95959
Monoisotopic Mass:243.95959
Topological Polar Surface Area:78.1
Heavy Atom Count:13
Complexity:271
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-Bromo-3-methyl-xanthine

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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8-Bromo-3-methyl-xanthine

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