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3-Bromo-6-methylpyridazine

3-Bromo-6-methylpyridazine structure

CAS No:
65202-58-6
Formula:
C5H5BrN2
Chemical Name:
3-Bromo-6-methylpyridazine
Synonyms:
Pyridazine,3-bromo-6-methyl-;3-Bromo-6-methylpyridazine
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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3-Bromo-6-methylpyridazine Basic Attributes

Molecular Weight：

173.012

Exact Mass：

173.01

DSSTox ID：

DTXSID80474780

HScode：

2933990090

Characteristics

PSA：

25.8

XLogP3：

1.3

Density：

1.6±0.1 g/cm3

Boiling Point：

285°C at 760 mmHg

Flash Point：

126.2±21.8 °C

Refractive Index：

1.558

Safety Information

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.

3-Bromo-6-methylpyridazine Use and Manufacturing

A mixture of Example 13B (18g, 163.44mmol) and phosphorus oxybromide (93.8g, 327.6mmol) was stirred at70°C overnight. The mixture was cooled to 40°C, poured into ice-water, quenched with saturated sodium bicarbonate(20mL) and extracted with dichloromethane (100mL 3 3). The organic layers were combined, dried over anhydroussodium sulfate, filtered and evaporated to give the title compound, 3-bromo-6-methylpyridazine (8g, yield 31percent). LCMS(ESI) m/z: 173[M+1]+. 1H NMR (CHLOROFORM-d, BrukerAvance 400MHz): ppm 7.86-7.88 (d, 1H, J = 8 Hz), 7.52-7.54(d, 1H, J = 8 Hz), 2.55(s, 3H).A mixture of Example 13B (18g, 163.44mmol) and phosphorus oxybromide (93.8g, 327.6mmol) was stirred at70°C overnight. The mixture was cooled to 40°C, poured into ice-water, quenched with saturated sodium bicarbonate(20mL) and extracted with dichloromethane (100mL 3 3). The organic layers were combined, dried over anhydroussodium sulfate, filtered and evaporated to give the title compound, 3-bromo-6-methylpyridazine (8g, yield 31percent). LCMS(ESI) m/z: 173[M+1]+. 1H NMR (CHLOROFORM-d, BrukerAvance 400MHz): ppm 7.86-7.88 (d, 1H, J = 8 Hz), 7.52-7.54(d, 1H, J = 8 Hz), 2.55(s, 3H).

Computed Properties

Molecular Weight:173.01
XLogP3:1.3
Hydrogen Bond Acceptor Count:2
Exact Mass:171.96361
Monoisotopic Mass:171.96361
Topological Polar Surface Area:25.8
Heavy Atom Count:8
Complexity:76.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-bromo-6-methylpyridazine

CAS No.: 65202-58-6

Content: 99.00%

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Guide of 3-Bromo-6-methylpyridazine

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
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3-Bromo-6-methylpyridazine

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