1,5-Dimethyl-2-pyrrolecarbonitrile - CAS 56341-36-7

Name: 1,5-Dimethyl-2-pyrrolecarbonitrile
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB029330
Product Name:	1,5-Dimethyl-2-pyrrolecarbonitrile
CAS:	56341-36-7
Synonyms:	1,5-dimethylpyrrole-2-carbonitrile

Technical Data

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Patents

Computed Properties

IUPAC Name:	1,5-dimethylpyrrole-2-carbonitrile
Description:	1,5-Dimethyl-2-pyrrolecarbonitrile (CAS# 56341-36-7) is a useful research chemical.
Molecular Weight:	120.15
Molecular Formula:	C7H8N2
Canonical SMILES:	CC1=CC=C(N1C)C#N
InChI:	InChI=1S/C7H8N2/c1-6-3-4-7(5-8)9(6)2/h3-4H,1-2H3
InChI Key:	DRXOPQFEWDRGKT-UHFFFAOYSA-N
Boiling Point:	238.9 °C at 760 mmHg
Density:	0.98 g/cm³
Appearance:	Brown-grey crystalline powder
MDL:	MFCD00003086
LogP:	1.20518

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Related Functional Groups

Pyrroles

[2411819-14-0]C11H7F3N2O2
5-(5-(trifluoromethyl)pyridin-2-yl)-1H-pyrrole-2-carboxylic acid
[1375064-62-2]C7H8BrNO2
Ethyl 2-Bromopyrrole-1-carboxylate
[31894-56-1]C12H13NO2S
Ethyl 5-methyl-3-(thiophen-2-yl)-1H-pyrrole-2-carboxylate
[1352398-37-8]C7H7N3
1H-pyrrolo[3,2-c]pyridin-7-amine
[1894030-28-4]C12H8F3NO2
5-(4-(trifluoromethyl)phenyl)-1H-pyrrole-2-carboxylic acid
[2411819-11-7]C11H10N2O2
5-(5-methylpyridin-2-yl)-1H-pyrrole-2-carboxylic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

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Complexity:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	120.068748264
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	120.068748264
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1