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4-Bromonicotinic acid

4-Bromonicotinic acid structure

CAS No:
15366-62-8
Formula:
C6H4BrNO2
Chemical Name:
4-Bromonicotinic acid
Synonyms:
4-BROMOPYRIDINE-3-CARBOXYLIC ACID;4-BROMONICOTINIC ACID;3-acid-4-bromopyridine;4-Bromo-3-pyridine carboxlic acid;4-Bromopyridine-3-carboxylicacid98%;4-BROMO-3-PYRIDINECARBOXYLIC ACID;4-BROMOPYRIDINE-3-CARBOXYLIC ACID 98%;4-Bromonicotinic acid，4-Bromo-3-pyridinecarboxylic acid
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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4-Bromonicotinic acid Basic Attributes

Molecular Weight：

202.01

Exact Mass：

200.942535

DSSTox ID：

DTXSID00376570

HScode：

2933399090

Characteristics

PSA：

50.2

XLogP3：

0.44

Appearance：

Pale brown to dark brown Solid

Density：

1.813±0.06 g/cm3(Predicted)

Melting Point：

118-134℃

Boiling Point：

334.5±27.0 °C(Predicted)

Flash Point：

156.1±23.7 °C

Refractive Index：

1.617

Storage Conditions：

2-8°C

Vapor Pressure：

5.02E-05mmHg at 25°C

Safety Information

Hazard category：

IRRITANT, KEEP COLD, STORED UNDER ARGON

wgk germany：

hazard class code：

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:202.01
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:200.94254
Monoisotopic Mass:200.94254
Topological Polar Surface Area:50.2
Heavy Atom Count:10
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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