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2,4-Dinitroanisole

2,4-Dinitroanisole structure

CAS No:
119-27-7
Formula:
C7H6N2O5
Chemical Name:
2,4-Dinitroanisole
Synonyms:
Benzene,1-methoxy-2,4-dinitro-;Anisole,2,4-dinitro-;1-Methoxy-2,4-dinitrobenzene;Dinitroanisole;2,4-Dinitroanisole;2,4-Dinitrophenyl methyl ether;2,4-Dinitroanisol;NSC 8733;2,4-Dinitro-1-methoxybenzene;2,4-Dinitrophenol-methyl ether
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

yellow crystals or crystalline powderChEBI: A member of the class of dinitroanisoles that is 2-nitroanisole in which the hydrogen para to the methoxy group is replaced by a second nitro group.

DryPowder

2,4-dinitroanisole is a member of the class of dinitroanisoles that is 2-nitroanisole in which the hydrogen para to the methoxy group is replaced by a second nitro group. It has a role as an explosive.

2,4-Dinitroanisole Basic Attributes

Molecular Weight：

198.13

Exact Mass：

198.13

BRN：

1881474

EC Number：

204-310-9

UNII：

1L0OD70295

NSC Number：

8733

DSSTox ID：

DTXSID9041366

HScode：

2909309090

Characteristics

PSA：

101

XLogP3：

1.56

Appearance：

DryPowder

Density：

1.34 g/mL at 25 °C(lit.)

Melting Point：

94.5 °C

Boiling Point：

206 °C

Flash Point：

207°C/12mm

Refractive Index：

1.5460 (estimate)

Water Solubility：

Solubility in hot methanol; almost transparency. Water solubility, 155 mg/L 15°C. Completely soluble in ethyl acetate & acetone.

Storage Conditions：

Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

8.59E-05mmHg at 25°C

Toxicity：

Oral-Rat LDL0: 100 mg/kg

Flammability characteristics：

Inflammable in case of open flame, high temperature, oxidant; burning produces toxic nitrogen oxide fumes

Safety Information

Hazard category：

6.1

wgk germany：

hazard class code：

20/21/22-40-22

safety instructions：

7/8-22-36/37/39

RTECS Number：

DA5250000

Marks：

Storage features：

Treasury is ventilated, low temperature and dry; stored separately from oxidant

Explosive characteristics：

Explosive when mixed with oxidant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P201, P202, P264, P270, P281, P301+P312, P308+P313, P330, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (65.79%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P264, P270, P281, P301+P312, P308+P313, P330, P405, and P501|Aggregated GHS information provided by 76 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

highly toxic

Drug Information

MeSH Entry Terms：

2,4-dinitroanisole

2,4-Dinitroanisole Use and Manufacturing

Methods of Manufacturing

It is derived from 2, 4-dinitrochlorobenzene by methoxylation. Put 900kg of molten 2, 4-dinitrochlorobenzene and 1800L of methanol into the reaction pot, heat it to about 40℃, add 579kg of 30% sodium hydroxide solution quickly and slowly within 4h, and the temperature is controlled at 58- 60°C. The extraction liquid is tested on phenolphthalein test paper, and the reaction end point is when it is orange-red. After post-processing operations, 2, 4-dinitroanisole is obtained. The yield is 95%.

Uses

Used in medicine to kill insect eggs

Propellants and blowing agents

Intermediate use

Production

1,000,000 - 10,000,000 lb

Manufacturing Info：

Explosives manufacturing|Benzene, 1-methoxy-2,4-dinitro-: ACTIVE

Computed Properties

Molecular Weight:198.13
XLogP3:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:198.02767130
Monoisotopic Mass:198.02767130
Topological Polar Surface Area:101
Heavy Atom Count:14
Complexity:233
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1-Methoxy-2,4-dinitrobenzene

CAS No.: 119-27-7

Grade: Pharmaceutical Grade

Content: 99.00%

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