Basic information

Product Name: 5-NITRO-2-(1H-PYRROL-1-YL)BENZONITRILE
Synonyms: BUTTPARK 96\57-94;5-NITRO-2-(1H-PYRROL-1-YL)BENZONITRILE;5-NITRO-2-PYRROL-1-YL-BENZONITRILE;N-(2-CYANO-4-NITROPHENYL)PYRROLE
CAS NO:106981-59-3
Molecular Formula: C11H7N3O2
Molecular Weight: 213.19
EINECS: N/A
Product Categories: N/A
Mol File: 106981-59-3.mol

Chemical Properties

Melting Point: 96 °C
Boiling Point: 389.6°Cat760mmHg
Flash Point: 189.4°C
Appearance: /
Density: 1.28g/cm³
Vapor Pressure: 2.82E-06mmHg at 25°C
Refractive Index: 1.64
Storage Temp.: N/A
Solubility: N/A
PKA: -6.86±0.70(Predicted)
CAS DataBase Reference: 5-NITRO-2-(1H-PYRROL-1-YL)BENZONITRILE(CAS DataBase Reference)
NIST Chemistry Reference: 5-NITRO-2-(1H-PYRROL-1-YL)BENZONITRILE(106981-59-3)
EPA Substance Registry System: 5-NITRO-2-(1H-PYRROL-1-YL)BENZONITRILE(106981-59-3)

Safety Data

Hazard Codes: Xn:Harmful;
Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
Safety Statements: S36/37:Wear suitable protective clothing and gloves.;
WGK Germany:
RTECS:
HazardClass: N/A
PackingGroup: N/A
Hazardous Substances Data: 106981-59-3(Hazardous Substances Data)

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SDS
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106981-59-3 Usage

Uses

Used in Pharmaceutical Industry:
5-NITRO-2-(1H-PYRROL-1-YL)BENZONITRILE is used as a chemical intermediate for the synthesis of various pharmaceuticals. Its unique structure and properties make it a promising candidate for the development of new drugs, particularly in the field of medicinal chemistry.
Used in Organic Synthesis:
5-NITRO-2-(1H-PYRROL-1-YL)BENZONITRILE is used as a precursor in the synthesis of other organic compounds. Its versatility in chemical reactions allows for the creation of a wide range of products, contributing to the advancement of organic chemistry.
Used in Research and Development:
5-NITRO-2-(1H-PYRROL-1-YL)BENZONITRILE is utilized in research and development for exploring its potential applications and properties. Its unique characteristics make it an interesting subject for scientific studies, which can lead to new discoveries and innovations in various fields.

Check Digit Verification of cas no

The CAS Registry Mumber 106981-59-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,6,9,8 and 1 respectively; the second part has 2 digits, 5 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 106981-59:
(8*1)+(7*0)+(6*6)+(5*9)+(4*8)+(3*1)+(2*5)+(1*9)=143
143 % 10 = 3
So 106981-59-3 is a valid CAS Registry Number.

InChI:InChI=1/C11H7N3O2/c12-8-9-7-10(14(15)16)3-4-11(9)13-5-1-2-6-13/h1-7H

106981-59-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name	5-nitro-2-pyrrol-1-ylbenzonitrile

1.2 Other means of identification

Product number	-
Other names	5-nitro-2-(1H-pyrrol-1-yl)benzonitrile

1.3 Recommended use of the chemical and restrictions on use

Identified uses	For industry use only.
Uses advised against	no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number	-
Service hours	Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:106981-59-3 SDS

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