3-Isoquinolinecarboxylic acid

Basic Information

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CAS Number

6624-49-3

Molecular Formula

C10H7NO2

Molecular Weight

173.17 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

Basic Physical Properties

Melting Point

166-167 ºC

Boiling Point

366.4°C at 760 mmHg

Density

1.339 g/cm3

Flash Point

175.4ºC

SMILES

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C1=CC=C2C=NC(=CC2=C1)C(=O)O

InChI

InChI=1S/C10H7NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H,12,13)

InChIKey

KVMMIDQDXZOPAB-UHFFFAOYSA-N

LogP

1.9329999999999998

Topological Polar Surface Area

50.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

205

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Synonyms & References

English

SCHEMBL155043
DivK1c_001163
DTXSID80919666
Z1198150075
InChI=1/C10H7NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H,12,13)
MFCD00075137
NG3LB0ST2P
CDS1_000123
I0509
EN300-114923
W-203453
UNII-NG3LB0ST2P
A8945
Maybridge1_002411
AC-7698
3-Isoquinolinecarboxylic acid, AldrichCPR
FT-0600501
SMR001557357
SDCCGMLS-0065934.P001
isoquinoline-3-caboxylic acid
KVMMIDQDXZOPAB-UHFFFAOYSA-N
BDBM105186
3-Isoquinolinecarboxylic acid
FS-2577
CS-D0699
3-Carboxyisoquinoline
AM20070121
NSC53385
Q27454776
HMS3079A10
MLS002667594

MDL Number

MFCD00075137

FAQ

What regulatory guidelines apply to 3-Isoquinolinecarboxylic acid (CAS: 6624-49-3)?

3-Isoquinolinecarboxylic acid (CAS: 6624-49-3) is subject to various regulatory guidelines, including GHS classification for hazardous chemicals, REACH regulations for European manufacturers and importers, and FDA/EPA requirements for its use as a pharmaceutical and agricultural chemical. Ensure compliance with local and international regulations to avoid legal issues and ensure safety.

Are there alternatives to 3-Isoquinolinecarboxylic acid (CAS: 6624-49-3) in synthesis?

Alternatives to 3-Isoquinolinecarboxylic acid (CAS: 6624-49-3) in synthesis include its isomers and closely related carboxylic acids like 2-quinolinecarboxylic acid. Common reagents used as substitutes include other aromatic carboxylic acids and similar functional groups that can serve similar roles in reactions.

What is the market or research trend for 3-Isoquinolinecarboxylic acid (CAS: 6624-49-3)?

The market for 3-Isoquinolinecarboxylic acid (CAS: 6624-49-3) is growing due to its applications in pharmaceuticals and research. Recent trends include increased use in drug discovery and development, as well as in the synthesis of other chemical compounds. Research is focusing on its efficacy and safety in various applications.

How should waste containing 3-Isoquinolinecarboxylic acid (CAS: 6624-49-3) be handled?

Waste containing 3-Isoquinolinecarboxylic acid (CAS: 6624-49-3) should be collected and disposed of in accordance with local regulations. Typically, this involves neutralization to reduce acidity, followed by incineration or professional waste disposal. Ensure proper environmental protection measures to minimize the risk of contamination.