1-Isoquinolinecarbonitrile

Basic Information

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CAS Number

1198-30-7

Molecular Formula

C10H6N2

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Solid

Melting Point

90-92 °C

Boiling Point

348.9 °C at 760 mmHg

Density

1.21

Water Solubility

Insoluble in water.

Flash Point

121.6 °C

Refractive Index

1.654

SMILES

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C1=CC=C2C(=C1)C=CN=C2C#N

InChI

InChI=1S/C10H6N2/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-6H

InChIKey

HJHXYSBRTVFEDD-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

203

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

NSC203335
isoquinoline-1-carbonitrile;1-CYANOISOQUINOLINE
1-cyano-isoquinoline
BIDD:GT0021
EN300-25592
1198-30-7
isoquinoline-1-carbonitrile
CCG-45292
isoquinolinecarbonitrile
NSC-203335
DTXSID20308378
BB 0268026
FT-0627508
125771-26-8
Isoquinaldonitrile
Maybridge1_002114
SR-01000635070-1
MFCD00134166
AKOS001295409
PS-5499
SY034107
AB03726
W-205071
NSC 203335
AM807134
AQ-776/40170967
Y94LJ44YSD
1-Isoquinolinecarbonitrile, 99%
1-Isoquinolinecarbonitrile
Z212046230
1-Cyanoisoquinoline

MDL Number

MFCD00134166

Customs Code

2933499090

FAQ

What regulatory guidelines apply to 1-Isoquinolinecarbonitrile (CAS: 1198-30-7)?

1-Isoquinolinecarbonitrile (CAS: 1198-30-7) falls under various regulatory guidelines such as the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations, and FDA/EPA requirements for chemical handling and safety. Manufacturers and importers must ensure compliance with these regulations for proper classification, labeling, and documentation of the compound.

Are there alternatives to 1-Isoquinolinecarbonitrile (CAS: 1198-30-7) in synthesis?

Alternatives to 1-Isoquinolinecarbonitrile (CAS: 1198-30-7) in synthesis include related isoquinoline derivatives and isomers. Common alternatives involve using 1-phenylisoquinoline or 1-methylisoquinoline as reagents, depending on the desired properties and reactivity in the synthesis process.

What is the market or research trend for 1-Isoquinolinecarbonitrile (CAS: 1198-30-7)?

The market for 1-Isoquinolinecarbonitrile (CAS: 1198-30-7) is currently growing, driven by its applications in pharmaceuticals and agrochemicals. Research trends focus on its potential use as an intermediate in drug synthesis and as a functional group in organic chemistry. Recent studies are exploring its use in developing new drug candidates and agrochemicals with improved efficacy.

How should waste containing 1-Isoquinolinecarbonitrile (CAS: 1198-30-7) be handled?

Waste containing 1-Isoquinolinecarbonitrile (CAS: 1198-30-7) should be collected in appropriate containers and stored safely. Proper disposal methods include incineration or professional waste disposal services. Environmental precautions include ensuring no contamination of water sources and adhering to local and international waste disposal regulations to prevent environmental harm.