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3-Amino-2-methylphenol

3-Amino-2-methylphenol structure

CAS No:
53222-92-7
Formula:
C7H9NO
Chemical Name:
3-Amino-2-methylphenol
Synonyms:
Phenol,3-amino-2-methyl-;o-Cresol,3-amino-;3-Amino-2-methylphenol;2-Methyl-3-aminophenol;3-Amino-o-cresol;2-Amino-6-hydroxytoluene;3-Hydroxy-2-methylaniline;3-Amino-2-cresol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

brown to black crystalline powder

3-Amino-2-methylphenol Basic Attributes

Molecular Weight：

123.15

Exact Mass：

123.15

EC Number：

258-438-5

DSSTox ID：

DTXSID50201323

HScode：

2922299090

Characteristics

PSA：

46.2

XLogP3：

1.3

Appearance：

Solid

Density：

1.2±0.1 g/cm3

Melting Point：

124-129 °C

Boiling Point：

221.8°C at 760 mmHg

Flash Point：

115.4±21.8 °C

Refractive Index：

1.616

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37/39

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Amino-2-methylphenol Use and Manufacturing

A stirred mixture of 2-Methyl-3-nitrophenol 5 (2.0g, 13.1mmol) in MeOH (50mL) at room temperature was treated with 10wtpercent palladium on charcoal (100mg). Hydrogen gas was passed through the mixture for 24h, and then the palladium on charcoal was removed by filtration through Celite. The filtrate was concentrated in vacuo, and was obtained as darked solid (1.62g, 99percent). 2-methyl-3-nitrophenol (2.0 g, 13.1 mmol) was dissolved in methanol (50 mL) at room temperature and then 10 wtpercent palladium on charcoal (100 mg) . The reaction mixture was stirred under hydrogen gas for 24 hours, then 10percent by weight palladium / charcoal was filtered through celite. The filtrate was concentrated in vacuo to give the desired compound (1.62 g, 99percent yield) as a solid.

Computed Properties

Molecular Weight:123.15
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:123.068413911
Monoisotopic Mass:123.068413911
Topological Polar Surface Area:46.2
Heavy Atom Count:9
Complexity:94.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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