5-Methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride

Basic Information

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CAS Number

16883-16-2

Molecular Formula

C11H8ClNO2

Molecular Weight

221.64 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

24-25 ºC

Boiling Point

170°C/15mmHg

Flash Point

>100

SMILES

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CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)Cl

InChI

InChI=1S/C11H8ClNO2/c1-7-9(11(12)14)10(13-15-7)8-5-3-2-4-6-8/h2-6H,1H3

InChIKey

HXEVQMXCHCDPSO-UHFFFAOYSA-N

LogP

3.029020000000001

Topological Polar Surface Area

43.1 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

241

Safety Information

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Hazard Statement

H290 May be corrosive to metals
Corrosive to Metals

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

W-107896
97OT2T1W6V
SCHEMBL892042
SR-01000944783
5-Methyl-3-phenyl-isoxazole-4-carbonyl chloride
5-Methyl-3-phenylisoxazole-4-carbonylchloride
DTXCID7031452
EINECS 240-915-4
NCGC00253671-01
5-methyl-3-phenyl-isoxazole-4-carboxylic acid chloride
DTXSID6057663
CHEMBL3560398
16883-16-2
UNII-97OT2T1W6V
Q27272030
3-Phenyl-5-methylisoxazole-4-carbonyl chloride
M2996
5-Methyl-3-phenyl-4-isoxazolylcarbonyl chloride
5-methyl-3-phenyl-4-isoxazoloyl chloride
D95335
MS-20020
AKOS002663611
5-methyl-3-phenyl-4-isoxazole carbonyl chloride
5-methyl-3-phenyl- 4-isoxazoloyl chloride
SR-01000944783-1
NS00025542
HXEVQMXCHCDPSO-UHFFFAOYSA-N
5-methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride
Tox21_113795
FT-0620631
5-methyl-3-phenyl-4-isoxazolecarbonyl chloride, AldrichCPR

MDL Number

MFCD00052205

Customs Code

2934999090

FAQ

What regulatory guidelines apply to 5-Methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride (CAS: 16883-16-2)?

5-Methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride (CAS: 16883-16-2) falls under the classification of other organic compounds. It is subject to the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), which includes hazard communication labeling. For industrial and commercial applications, it is also governed by REACH regulations in the EU, ensuring that manufacturers and importers provide sufficient information on the substance's properties and any associated risks. Additionally, FDA and EPA regulations may apply to its use in pharmaceutical and chemical manufacturing processes in the United States.

Are there alternatives to 5-Methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride (CAS: 16883-16-2) in synthesis?

While 5-Methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride (CAS: 16883-16-2) is a specific compound, alternatives such as 3-phenyl-1,2-oxazole-4-carbonyl chloride and its methylated derivative can be used in synthesis. Other common reagents like acyl chlorides, anhydrides, and carboxylic acids are often utilized as substitutes based on the specific reaction conditions and desired product. It is recommended to consult literature or seek expert advice to identify the most suitable alternative for your synthesis needs.

What is the market or research trend for 5-Methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride (CAS: 16883-16-2)?

The market for 5-Methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride (CAS: 16883-16-2) is currently focused on its use as a key intermediate in the synthesis of various pharmaceuticals, agrochemicals, and fine chemicals. Research trends indicate an increasing interest in the development of new synthetic routes and the exploration of its bioavailability and pharmacological properties. As the demand for these products continues to grow, there is a need for further studies to understand its potential applications and improve its production methods.

How should waste containing 5-Methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride (CAS: 16883-16-2) be handled?

Waste containing 5-Methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride (CAS: 16883-16-2) should be handled with care to ensure environmental protection. Waste collection should follow local regulations and guidelines for hazardous waste. The waste should be safely stored in a secure, labeled container and transported to an approved professional waste disposal facility for incineration or other appropriate disposal methods. Environmental precautions include proper containment to prevent spillage and the use of personal protective equipment (PPE) to protect handlers from potential hazards.