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3-Methyl-4-nitrophenol

3-Methyl-4-nitrophenol structure

CAS No:
2581-34-2
Formula:
C7H7NO3
Chemical Name:
3-Methyl-4-nitrophenol
Synonyms:
Phenol,3-methyl-4-nitro-;m-Cresol,4-nitro-;3-Methyl-4-nitrophenol;p-Nitro-m-cresol;4-Nitro-m-cresol;2-Nitro-5-hydroxytoluene;5-Hydroxy-2-nitrotoluene;4-Nitro-3-methylphenol;4-Nitro-5-methylphenol;5-Methyl-4-nitrophenol;p-Nitro-m-methylphenol;NSC 69190
Categories:
Agrochemicals > Pesticide Intermediates

Description

YELLOWISH TO BEIGE CRYSTALLINE POWDER

4-nitro-m-cresol is a C-nitro compound in which the nitro group is attached at C-4 of m-cresol. It derives from a m-cresol.

3-Methyl-4-nitrophenol Basic Attributes

Molecular Weight：

153.14

Exact Mass：

153.14

BRN：

1868105

EC Number：

219-952-5

UNII：

2CC94832EU

NSC Number：

69190

DSSTox ID：

DTXSID2062535

HScode：

29089000

Characteristics

PSA：

XLogP3：

2.03

Appearance：

Beige powder.

Density：

1.3±0.1 g/cm3

Melting Point：

127-129 °C

Boiling Point：

200℃（分解）

Flash Point：

110℃

Refractive Index：

1.597

Water Solubility：

soluble in water(1.34g/L).

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

0.000472mmHg at 25°C

Henrys Law Constant：

1.61e-08 atm-m3/mole

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 2446 6.1/PG 3

wgk germany：

hazard class code：

20/21/22-36/37/38-22

safety instructions：

26-36/37-37/39-36-24/25

RTECS Number：

GP2625000

Marks：

Xn,Xi

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

GHS Classification：

|Warning|H302 (93.62%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Danger|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P264, P270, P280, P281, P301+P312, P305+P351+P338, P308+P313, P310, P330, P405, and P501

Toxicity

Bioconcentration：

11.48

Drug Information

MeSH Entry Terms：

3-methyl-4-nitrophenol

3-Methyl-4-nitrophenol Use and Manufacturing

Methods of Manufacturing

The preparation methods of p-nitro-m-cresol include nitrosation oxidation method and one-step nitration method. Because the one-step nitration method consumes a large amount of phenol and has a high cost, the nitrosation oxidation method is adopted in industry. The reaction equation is shown in the figure. The pre-prepared dilute nitric acid is added to the nitrosation kettle, and the mixed solution of cresol and sodium nitrite is added dropwise under strong stirring and low temperature. After the addition, keep the reaction at low temperature for a certain period of time, and put the material in the oxidation kettle to slowly increase the temperature for oxidation. Use Na2CO3 liquid to absorb a large amount of released NOx. When the temperature in the oxidation kettle rises to 47°C, the NOx is released almost completely, and the temperature is lowered to 25°C. It is placed in a centrifuge for centrifugal separation to obtain crude 4-nitrate. After measurement analysis, it is added to the refining kettle, dissolved by toluene at elevated temperature, and crystallized at low temperature, and then separated in an explosion-proof centrifuge to obtain refined 4-nitrate.

Uses

It has a wide range of uses, mainly used for the manufacture of pesticides astaxanthin (an excellent organophosphorus insecticide with high efficiency, low toxicity and low residue).

Manufacturing Info：

Phenol, 3-methyl-4-nitro-: INACTIVE

Use Classification：

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

Agrochemical：

3-methyl-4-nitrophenol is a known environmental transformation product of fenitrothion.|NMC is a known environmental transformation product of Fenitrothion.

Computed Properties

Molecular Weight:153.14
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:153.042593085
Monoisotopic Mass:153.042593085
Topological Polar Surface Area:66
Heavy Atom Count:11
Complexity:154
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

3-Methylanisole

Methanol

Nitric acid

Downstream Products

4-Methoxy-2-methylaniline

o-Toluidine

Recommended Suppliers of 3-Methyl-4-nitrophenol

Shaanxi Dideu Medichem Co. Ltd Contact Supplier

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High Quality 99% Purity of 3-Methyl-4-nitrophenol CAS NO 2581-34-2 ISO 9001:2005 REACH Verified Producer

CAS No.: 2581-34-2

Grade: Industrial Grade

Content: 99%

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Hangzhou KieRay Chem Co.,LTD Contact Supplier

CN
5 YRS

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Manufactory Supplier of fine chemicals,pharmaceutical materials

3-Methyl-4-nitrophenol

CAS No.: 2581-34-2

Grade: industrial Grade

Content: 98%

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