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3-Methyl-4-nitroanisole

3-Methyl-4-nitroanisole structure

CAS No:
5367-32-8
Formula:
C8H9NO3
Chemical Name:
3-Methyl-4-nitroanisole
Synonyms:
Benzene,4-methoxy-2-methyl-1-nitro-;Anisole,3-methyl-4-nitro-;4-Methoxy-2-methyl-1-nitrobenzene;3-Methyl-4-nitroanisole;5-Methoxy-2-nitrotoluene;3-Methyl-4-nitrophenol methyl ether;2-Nitro-5-methoxytoluene;2-Methyl-4-methoxynitrobenzene;NSC 37985
Categories:
Pharmaceutical Intermediates > Gastrointestinal Agents

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Description

yellow to brown powder

3-Methyl-4-nitroanisole Basic Attributes

Molecular Weight：

167.16

Exact Mass：

167.16

BRN：

2328600

EC Number：

226-357-4

NSC Number：

37985

DSSTox ID：

DTXSID40201913

HScode：

2909309090

Characteristics

PSA：

XLogP3：

2.8

Appearance：

Yellow powder.

Density：

1.2±0.1 g/cm3

Melting Point：

55 °C

Boiling Point：

16-20 °C @ Press: 4 Torr

Flash Point：

>230 °F

Refractive Index：

1.538

Storage Conditions：

Store in a cool, dry place. Store in a tightly closed container.

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-36/37/38

safety instructions：

24/25-36-26

Marks：

Xn,Xi

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory.

3-Methyl-4-nitroanisole Use and Manufacturing

Use Classification：

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Agrochemical：

NMA is a known environmental transformation product of Fenitrothion.

Computed Properties

Molecular Weight:167.16
XLogP3:2.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:167.058243149
Monoisotopic Mass:167.058243149
Topological Polar Surface Area:55
Heavy Atom Count:12
Complexity:166
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes