1-Phenylcyclobutanecarbonitrile

Basic Information

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CAS Number

14377-68-5

Molecular Formula

C11H11N

Molecular Weight

146.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Boiling Point

85°C/0.3mmHg

Flash Point

106.3℃

Refractive Index

1.5313-1.5333

SMILES

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C1CC(C1)(C#N)C2=CC=CC=C2

InChI

InChI=1S/C11H11N/c12-9-11(7-4-8-11)10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2

InChIKey

DHIDUDPFTZJPCQ-UHFFFAOYSA-N

LogP

3.1282000000000014

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

200

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

DTXSID90162540
EINECS 238-351-9
AKOS005257769
NSC 125697
QUW28NRN8Z
FT-0608219
P2252
AM807143
1-Phenylcyclobutanecarbonitrile
14377-68-5
1-phenyl-1-cyclobutane carbonitrile
DS-1580
NSC-125697
J-505085
Z361882924
NSC125697
1-Phenyl-cyclobutanecarbonitrile
EN300-67606
UNII-QUW28NRN8Z
NS00024671
SCHEMBL872608
MFCD00019258
CS-W002121
SY001230
1-phenylcyclobutane-1-carbonitrile
FS-2610
Cyclobutanecarbonitrile, 1-phenyl-
1-phenyl-1-cyclobutanecarbonitrile
1-Phenyl-1-cyclobutanecarbonitrile
1-Phenylcyclobutanecarbonitrile,95%
1-PHENYLCYCLOBUTANECARBONITRILE 95%

MDL Number

MFCD00019258

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 1-Phenylcyclobutanecarbonitrile (CAS: 14377-68-5)?

1-Phenylcyclobutanecarbonitrile (CAS 14377-68-5) should be handled according to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) guidelines. It must comply with REACH regulations in the EU, including notification of substances of very high concern (SVHC). In the US, it is also subject to FDA and EPA regulations, such as reporting requirements for toxic substances.

Are there alternatives to 1-Phenylcyclobutanecarbonitrile (CAS: 14377-68-5) in synthesis?

Alternative carbon nitriles that can be used in synthesis include 2-methylcyclopentanecarbonitrile and 3-phenylcyclohexanecarbonitrile. Isomeric structures like 1-cyclobutenecarbonitrile are also available. These analogs can serve as substitutes depending on the specific reaction conditions and desired properties.

What is the market or research trend for 1-Phenylcyclobutanecarbonitrile (CAS: 14377-68-5)?

The market for 1-Phenylcyclobutanecarbonitrile (CAS 14377-68-5) is driven by its use in pharmaceutical and agrochemical industries. Research trends focus on its application in medicinal chemistry and as a precursor in organic synthesis. With growing emphasis on sustainable chemistry, there is increasing interest in developing environmentally friendly synthesis routes for this compound.

How should waste containing 1-Phenylcyclobutanecarbonitrile (CAS: 14377-68-5) be handled?

Waste containing 1-Phenylcyclobutanecarbonitrile (CAS 14377-68-5) should be collected in appropriate containers and managed according to local regulations. For bulk waste, incineration is a common method, but professional waste disposal services are recommended. Environmental protection measures include proper ventilation and the use of personal protective equipment to prevent exposure and ensure safety during handling and disposal.