2-Phenylbutanoyl chloride

Basic Information

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CAS Number

36854-57-6

Molecular Formula

C10H11ClO

Molecular Weight

182.65 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

125°C/20mmHg

Refractive Index

n20/D 1.516(lit.)

SMILES

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CCC(C1=CC=CC=C1)C(=O)Cl

InChI

InChI=1S/C10H11ClO/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3

InChIKey

QGXMHCMPIAYMGT-UHFFFAOYSA-N

LogP

2.9456000000000016

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

150

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

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

Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

Benzeneacetyl chloride, .alpha.-ethyl-
2-phenylbutanoyl chloride
2-Phenylbutyryl chloride, 98%
InChI=1/C10H11ClO/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
AKOS009157874
NS00002678
2-Phenyl-butyryl chloride
EC 253-241-0
NSC86133
Butyryl chloride, 2-phenyl-
CCG-40544
.alpha.-Phenylbutyryl chloride
AS-46729
NSC 86133
alpha-Ethyl-benzeneacetyl Chloride
2-Phenylbutyryl chloride
F2190-0116
A823406
2-Phenylbutyrylchloride
EN300-331740
NSC-86133
2-Ethyl-2-phenylacetyl Chloride
FT-0613330
EINECS 253-241-0
DTXSID201308142
SCHEMBL582647
36854-57-6
P1665
GEO-03394
MFCD00018811
alpha-phenyl-alpha-ethyl acetyl chloride

MDL Number

MFCD00018811

Customs Code

2916399090

FAQ

What regulatory guidelines apply to 2-Phenylbutanoyl chloride (CAS: 36854-57-6)?

2-Phenylbutanoyl chloride (CAS: 36854-57-6) falls under the classification of an organic compound. It is regulated under various guidelines including GHS (Globally Harmonized System of Classification and Labelling of Chemicals), REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals) in the European Union. FDA and EPA regulations also apply for its handling in pharmaceutical and pesticide applications. Specific safety data sheets (SDS) should be consulted for detailed information on handling and storage.

Are there alternatives to 2-Phenylbutanoyl chloride (CAS: 36854-57-6) in synthesis?

Yes, there are alternatives to 2-Phenylbutanoyl chloride (CAS: 36854-57-6) in synthesis, such as other acyl chlorides or carboxylic acids. For example, 2-Phenylbutyric acid can be converted to its anhydride or ester, which can serve similar functions. Additionally, other substituted acyl chlorides might be used depending on the specific reaction conditions and desired product.

What is the market or research trend for 2-Phenylbutanoyl chloride (CAS: 36854-57-6)?

The market for 2-Phenylbutanoyl chloride (CAS: 36854-57-6) is primarily driven by its use in pharmaceuticals, agrochemicals, and polymer synthesis. Recent research trends focus on developing more sustainable and environmentally friendly synthesis methods, as well as exploring its applications in novel drug discovery and biocatalysis. Price trends generally reflect supply and demand dynamics, with increasing demand potentially leading to higher market prices.

How should waste containing 2-Phenylbutanoyl chloride (CAS: 36854-57-6) be handled?

Waste containing 2-Phenylbutanoyl chloride (CAS: 36854-57-6) should be collected in appropriate containers and stored separately to avoid contamination. Proper disposal methods include incineration or professional waste disposal services that comply with local regulations. Environmental protection measures should be taken to prevent leakage and ensure safe handling. Always consult the SDS for specific disposal procedures and ensure compliance with local environmental laws.