3-(Pyrrol-1-yl)propiononitrile

HCID 96527CAS 43036-06-2
Substructure searchFind similar structures

Basic information

Standard SMILES
N#CCCn1cccc1
InChIKey
IYOLJLGYJMJLSU-UHFFFAOYSA-N
Molecular formula
C7H8N2
Average molar mass
120.15 g/mol
Monoisotopic mass
120.06874826

Overview

3-(1H-pyrrol-1-yl)propanenitrile is a member of pyrroles.

Names & identifiers

Preferred name
3-(Pyrrol-1-yl)propiononitrile
IUPAC
3-pyrrol-1-ylpropanenitrile
English name
N-(2-CYANOETHYL)PYRROLE
Molecular formula
C7H8N2
Molecular weight
120.15

Names & synonyms

43036-06-21H-Pyrrole-1-propanenitrile3-(Pyrrol-1-yl)propiononitrileEINECS 256-051-6DTXSID00195647NSC 78437RefChem:496119DTXCID40118138256-051-63-(1H-Pyrrol-1-yl)propanenitrileN-(2-cyanoethyl)pyrrole1-(2-Cyanoethyl)pyrrole
Show more names
3-(1H-Pyrrol-1-yl)1-PYRROLEPROPIONITRILE1-(2-Cyanoethyl)-1H-pyrrole1H-Pyrrole-1-propiononitrile
Pyrrole-1-propionitrile3-pyrrol-1-ylpropanenitrileMFCD00003092N-(2-Cyanoethyl)-pyrrole3-pyrrol-1-yl-propionitrile1-(2-Cyanoethyl)pyrrole, >=99%NSC-784373-(1H-Pyrrol-1-yl)propanenitrile #

Database identifiers

CAS
43036-06-2
PubChem CID
96527
DTXSID
DTXSID00195647
ChEBI
CHEBI:194812
UNII
43SZ9W4FPB
EC Number
256-051-6
Nikkaji
J364.722F

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
28.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
9

Physicochemical properties

Boiling point
132 · 132-133 °C/10 mmHg (lit.)
Density
1.048 g/mL · 1.048 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.51(lit.)
Flash point
230 °F · >230 °F
storage temp.
Sealed in dry,Room Temperature
solubility
Chloroform

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
hs_code
29339900
risk_code
20/21/22-36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

UsesN-(2-CYANOETHYL)PYRROLE is used in the synthesis of 2-pyridines. It is also used in the preparation of indoles/pyrroles.

Uses1H-Pyrrole-1-propanenitrile is used in the synthesis of 2-pyridines. It is also used in the preparation of indoles/pyrroles.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Additional notes

DefinitionChEBI: 3-(1H-pyrrol-1-yl)propanenitrile is a member of pyrroles.

Related reactions

10 records
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Linked notes

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