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6-AMINO-5-BROMONICOTINIC ACID

6-AMINO-5-BROMONICOTINIC ACID structure

CAS No:
180340-69-6
Formula:
C6H5BrN2O2
Chemical Name:
6-AMINO-5-BROMONICOTINIC ACID
Synonyms:
6-AMINO-5-BROMONICOTINIC ACID;6-Amino-5-bromopyridine-3-carboxylic acid;2-AMino-3-broMo-5-pyridinecarboxylic acid;3-Pyridinecarboxylic acid, 6-amino-5-bromo-;6-Amino-5-bromopyridin-3-carboxylic acid
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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6-AMINO-5-BROMONICOTINIC ACID Basic Attributes

Molecular Weight：

217.02

Exact Mass：

215.95300

DSSTox ID：

DTXSID30627981

HScode：

2933399090

Characteristics

PSA：

76.2

XLogP3：

0.7

Density：

1.909±0.06 g/cm3(Predicted)

Boiling Point：

378.0±42.0 °C(Predicted)

Refractive Index：

1.685

Vapor Pressure：

0mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302+H312+H332

GHS Classification：

|Warning|H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

6-AMINO-5-BROMONICOTINIC ACID Use and Manufacturing

To a suspension of 543 mg of 1.5 g of 2.41 g of ethyl 2-amino-3-bromo-5-pyridinecarboxylate 3d in 120 mL of methanol and 2.8 g of potassium hydroxide in 40 mL of water are placed in a round-bottomed flask. The mixture is stirred with heating at 60 C. for 3 hours. The methanol is evaporated off. After cooling, 10 mL of 5N hydrochloric acid are added. The precipitate is filtered off to give 2.07 g of REFERENCE EXAMPLE 190 REFERENCE EXAMPLE 157 Reference Example 190 REFERENCE EXAMPLE 157 Reference Example 172 Reference Example 158 Methyl 6-amino-5-bromopyridine-3-carboxylate REFERENCE EXAMPLE 191 Methyl 6-amino-5-bromopyridine-3-carboxylate REFERENCE EXAMPLE 158 Methyl 6-amino-5-bromopyridine-3-carboxylate Reference Example 191 Methyl 6-amino-5-bromopyridine-3-carboxylate REFERENCE EXAMPLE 158 Methyl 6-amino-5-bromopyridine-3-carboxylate Reference Example 173 Methyl 6-amino-5-bromopyridine-3-carboxylate

Computed Properties

Molecular Weight:217.02
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:215.95344
Monoisotopic Mass:215.95344
Topological Polar Surface Area:76.2
Heavy Atom Count:11
Complexity:165
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-AMINO-5-BROMONICOTINIC ACID

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Latest News
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6-AMINO-5-BROMONICOTINIC ACID

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