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

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid

Nitrogen Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2
[5334-43-0]
5-Amino-1-phenylpyrazole-4-carbonitrile
[2096992-18-4]
(3-((tert-butoxycarbonyl)amino)bicyclo[1.1.1]pentan-1-yl)methyl methanesulfonate

Oxygen Compounds

[77987-49-6]
Z-Glycinol
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[56517-33-0]
2-Bromo-4-isopropoxy-5-methoxybenzaldehyde
[832739-83-0]
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol

Pyrroles

[1227461-24-6]
tert-Butyl 3-amino-4-cyano-2,5-dihydro-1H-pyrrole-1-carboxylate
[1375064-62-2]
Ethyl 2-Bromopyrrole-1-carboxylate
[31894-56-1]
Ethyl 5-methyl-3-(thiophen-2-yl)-1H-pyrrole-2-carboxylate
[1175521-35-3]
Farinomalein
[2973-17-3]
N-Allylmaleimide
[5449-87-6]
1,2,5-Trimethyl-1H-pyrrole-3-carbaldehyde

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