1-(4-Nitrophenyl)-1H-pyrrole-2-carbaldehyde - CAS 30186-41-5

Catalog:	BB047042
Product Name:	1-(4-Nitrophenyl)-1H-pyrrole-2-carbaldehyde
CAS:	30186-41-5
Synonyms:	1-(4-Nitro-phenyl)-1H-pyrrole-2-carbaldehyde; 1-(4-nitrophenyl)-2-formylpyrrole

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1-(4-nitrophenyl)pyrrole-2-carbaldehyde
Description:	1-(4-Nitrophenyl)-1H-pyrrole-2-carbaldehyde (CAS# 30186-41-5 ) is a useful research chemical.
Molecular Weight:	216.19
Molecular Formula:	C11H8N2O3
Canonical SMILES:	C1=CN(C(=C1)C=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI:	InChI=1S/C11H8N2O3/c14-8-11-2-1-7-12(11)9-3-5-10(6-4-9)13(15)16/h1-8H
InChI Key:	HAWFRXCIWBFGHH-UHFFFAOYSA-N
Boiling Point:	398.6 °C at 760 mmHg
Melting Point:	166.5 °C
Purity:	95 %
Density:	1.3 g/cm³

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]
1-(2-Cyanophenyl)urea

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile

Oxygen Compounds

[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[2960-93-2]
2,2'-Dimethoxy-1,1'-binaphthalene
[56517-33-0]
2-Bromo-4-isopropoxy-5-methoxybenzaldehyde
[37503-42-7]
2-Hydroxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

Pyrroles

[1227461-24-6]
tert-Butyl 3-amino-4-cyano-2,5-dihydro-1H-pyrrole-1-carboxylate
[1263208-95-2]
Ethyl 3-methyl-4-(thiophene-2-carbonyl)-1H-pyrrole-2-carboxylate
[1175521-35-3]
Farinomalein
[473401-82-0]
1-(tert-Butyl) 2,5-dimethyl 1H-pyrrole-1,2,5-tricarboxylate
[2973-17-3]
N-Allylmaleimide
[17106-15-9]
5-Acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	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
Signal Word:	Warning

Complexity:	269
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.05349212
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	216.05349212
Rotatable Bond Count:	2
Topological Polar Surface Area:	67.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9