3-Bromoisonicotinonitrile

Basic Information

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CAS Number

13958-98-0

Molecular Formula

C6H3BrN2

Molecular Weight

172.03 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

91.0 to 95.0 deg-C

Boiling Point

267.5℃ at 760 mmHg

Flash Point

115.568℃

SMILES

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C1=CN=CC(=C1C#N)Br

InChI

InChI=1S/C6H3BrN2/c7-6-4-9-2-1-5(6)3-8/h1-2,4H

InChIKey

VPDIXJCBBUZNPO-UHFFFAOYSA-N

LogP

2.15252

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

137

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

AKOS005199114
CS-W002552
SCHEMBL526349
VPDIXJCBBUZNPO-UHFFFAOYSA-N
3-Bromo-4-cyanopyridine, AldrichCPR
DTXSID20454223
3-Bromo-4-cyanopyridine, 95%
AM20050808
3-Bromoisonicotinonitrile
J-512109
3-bromo-isonicotinonitrile
MFCD00234143
B5215
EN300-122211
FT-0646909
BCP25595
3-Bromo-4-cyanopyridine
5-bromoisonicotinonitrile
Z1201619912
ETHYL2-(5-BROMO-1H-INDOL-3-YL)-2-OXOACETATE
AB05148
3-bromo-4-pyridinecarbonitrile
3-bromopyridine-4-carbonitrile
4-Pyridinecarbonitrile, 3-bromo-
13958-98-0
BS-2009
A807565
AC-33368
SY013185
4-BROMOPYRIDINE-3-CARBONITRILE
4-Bromonicotinonitrile

MDL Number

MFCD00234143

FAQ

What is 3-Bromoisonicotinonitrile (CAS: 13958-98-0)?

3-Bromoisonicotinonitrile (CAS: 13958-98-0) is a chemical compound with the molecular formula C8H5BrN2. It is an aromatic nitrile with a bromine substituent. This compound is commonly used in the synthesis of pharmaceuticals and as a reagent in organic chemistry.

What are the main uses of 3-Bromoisonicotinonitrile (CAS: 13958-98-0)?

3-Bromoisonicotinonitrile (CAS: 13958-98-0) is primarily used in the pharmaceutical industry for the production of certain medications. It is also employed as a reagent in organic synthesis, particularly in the creation of other chemical compounds.

Is 3-Bromoisonicotinonitrile (CAS: 13958-98-0) safe?

3-Bromoisonicotinonitrile (CAS: 13958-98-0) can be safe when handled properly. However, it is important to follow all safety guidelines, including佩戴防护手套和眼镜，确保良好的通风条件，并避免皮肤和眼睛直接接触。此外，应将其存放在密封容器中，并远离火源和热源。

How should 3-Bromoisonicotinonitrile (CAS: 13958-98-0) be stored?

3-Bromoisonicotinonitrile (CAS: 13958-98-0) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption and decomposition. Adequate ventilation should be ensured during storage and handling to avoid the risk of inhalation of potentially toxic fumes.