1H-Indazole | CAS No. 271-44-3

1H-Indazole

Basic Information

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CAS Number

271-44-3

Molecular Formula

C7H6N2

Molecular Weight

118.14 g/mol

EINECS

205-978-4

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

146.0 to 149.0 deg-C

Boiling Point

270 °C/743 mmHg

Density

1.4220 (rough estimate)

Flash Point

270℃

Refractive Index

1.697

SMILES

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C1=CC=C2C(=C1)C=NN2

InChI

InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)

InChIKey

BAXOFTOLAUCFNW-UHFFFAOYSA-N

LogP

1.5629

pKa

14.00±0.10(Predicted)

Topological Polar Surface Area

28.68 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

103

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

Storage Conditions

Inert atmosphere,Room Temperature

Sensitiveness

Sensitive to air

RTECS

NK7745000

Synonyms & References

English

Isoindazole
MFCD00005691
1-H-indazole
WLN: T56 BMNJ
SY001125
NS00010847
Indazoles
1H-INDAZOLE [MI]
SCHEMBL5376678
4b2i
1H-indazol
Indazole, 5
BDBM24627
DTXSID4075374
BCP27336
AC-907/25014165
Q417106
J-504679
SCHEMBL5379372
CHEBI:36670
Z276614452
1,2-Benzodiazole
Indazole, 6
1,2-Diazaindene (VAN)
1,2-Diazaindene
NSC26336
2-Azaindole
1H-indazole;Indazole
P10014
PS-4750
AKOS000271187

MDL Number

MFCD00005691

EC Number

205-978-4

Customs Code

29339990

FAQ

What is 1H-Indazole (CAS: 271-44-3)?

1H-Indazole is a heterocyclic aromatic compound with the molecular formula C₇H₅N. It is a key building block in organic synthesis and pharmaceutical chemistry. It is characterized by its planar structure and is widely used in the production of drugs and other chemical intermediates.

What are the main uses of 1H-Indazole (CAS: 271-44-3)?

1H-Indazole is primarily used in the synthesis of pharmaceuticals, particularly in the development of anticancer, antiviral, and antifungal drugs. It is also employed in the production of dyes, pigments, and as a reagent in organic synthesis.

Is 1H-Indazole (CAS: 271-44-3) safe?

1H-Indazole is generally considered safe, but it is important to follow proper handling procedures. It is classified as mildly toxic. Ensure good ventilation and avoid inhalation of dust. Wear protective gloves and eye protection during handling. Store in a cool, dry place away from direct sunlight and heat sources.

How should 1H-Indazole (CAS: 271-44-3) be stored?

Store 1H-Indazole in a cool, dry place with a temperature between 15-25 °C (59-77 °F). Keep away from direct sunlight and heat sources. Use a tightly sealed container to prevent moisture and air exposure. Avoid contact with incompatible materials like strong acids and bases. Store separately from food and feedstuffs.