4-(2-Methyl-2-propanyl)-2-nitrophenol

Basic Information

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CAS Number

3279-07-0

Molecular Formula

C10H13NO3

Molecular Weight

195.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

27-29 °C

Boiling Point

97 °C/1 mmHg

Refractive Index

1.5500-1.5530

SMILES

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CC(C)(C)C1=CC(=C(C=C1)O)[N+](=O)[O-]

InChI

InChI=1S/C10H13NO3/c1-10(2,3)7-4-5-9(12)8(6-7)11(13)14/h4-6,12H,1-3H3

InChIKey

IHGNADPMUSNTJW-UHFFFAOYSA-N

LogP

2.5979

Topological Polar Surface Area

63.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

216

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

AS-14489
2-Nitro-4-tert-butylphenol
MFCD00191888
2-nitro-4-tert-butyl phenol
W-106822
CS-W010626
4-t-butyl-2-nitro-phenol
4-tert.-butyl-2-nitrophenol
InChI=1/C10H13NO3/c1-10(2,3)7-4-5-9(12)8(6-7)11(13)14/h4-6,12H,1-3H
Q94NDU9GTF
4-(t-butyl)-2-nitrophenol
4-tert-butyl-2-nitro-phenol;2-Nitro-4-tert-butylphenol
SCHEMBL445240
B1812
UNII-Q94NDU9GTF
4-tert-Butyl-2-nitrophenol
NSC 36629
3279-07-0
4-(1,1-DIMETHYLETHYL)-2-NITROPHENOL
Phenol, 4-(1,1-dimethylethyl)-2-nitro
EINECS 221-914-8
4-tert-Butyl-2-nitrophenol, 97%
NSC-36629
A821416
4-(TERT-BUTYL)-2-NITROPHENOL
Phenol, 4-(1,1-dimethylethyl)-2-nitro-
NSC36629
2-nitro-4-t-butyl phenol
NS00029348
DTXSID9074642
FT-0658448

MDL Number

MFCD00191888

Customs Code

2908999090

FAQ

What regulatory guidelines apply to 4-(2-Methyl-2-propanyl)-2-nitrophenol (CAS: 3279-07-0)?

4-(2-Methyl-2-propanyl)-2-nitrophenol (CAS: 3279-07-0) is classified under GHS as a toxic substance. It falls under REACH regulations, requiring manufacturers and importers to register it if the annual tonnage exceeds one ton. FDA and EPA have specific guidelines for its handling and disposal, emphasizing safety and environmental protection.

Are there alternatives to 4-(2-Methyl-2-propanyl)-2-nitrophenol (CAS: 3279-07-0) in synthesis?

For synthesis purposes, alternatives like 2-nitrophenol or isomers such as 4-(1-methylpropyl)-2-nitrophenol can be used. These compounds offer similar functionality but may provide more manageable reactivity and cost-effectiveness, reducing the risk and complexity in the synthesis process.

What is the market or research trend for 4-(2-Methyl-2-propanyl)-2-nitrophenol (CAS: 3279-07-0)?

The market for 4-(2-Methyl-2-propanyl)-2-nitrophenol (CAS: 3279-07-0) is stable, with growing interest in its use as a key intermediate in the synthesis of various pharmaceuticals and dyes. Research trends are focusing on improving synthesis efficiency and exploring its potential in new applications, particularly in the pharmaceutical industry where it is used in the development of antitumor and antibacterial agents.

How should waste containing 4-(2-Methyl-2-propanyl)-2-nitrophenol (CAS: 3279-07-0) be handled?

Waste containing 4-(2-Methyl-2-propanyl)-2-nitrophenol (CAS: 3279-07-0) should be collected in appropriate containers and stored in a secure, well-ventilated area. It should be disposed of through incineration or professional waste disposal services, following local and international regulations. Proper disposal ensures the safety of both human health and the environment, minimizing the risk of environmental pollution.