Heteroaromatic compounds

Organic compounds that contain one or more heterocycles that are aromatic; heterocycles are rings that contain atoms from two or more types of elements.

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Imidazole (Certified), Fisher Chemical

CAS: 288-32-4 Molecular Formula: C3H4N2 Molecular Weight (g/mol): 68.08 MDL Number: MFCD00005183 InChI Key: RAXXELZNTBOGNW-UHFFFAOYSA-N Synonym: imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole PubChem CID: 795 ChEBI: CHEBI:16069 IUPAC Name: 1H-imidazole SMILES: N1C=CN=C1

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PubChem CID	795
CAS	288-32-4
Molecular Weight (g/mol)	68.08
ChEBI	CHEBI:16069
MDL Number	MFCD00005183
SMILES	N1C=CN=C1
Synonym	imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole
IUPAC Name	1H-imidazole
InChI Key	RAXXELZNTBOGNW-UHFFFAOYSA-N
Molecular Formula	C3H4N2

2-(Bromomethyl)-5-(trifluoromethyl)furan, 97%, Thermo Scientific™

CAS: 17515-77-4 Molecular Formula: C6H4BrF3O Molecular Weight (g/mol): 229.00 MDL Number: MFCD03086219 InChI Key: YNHVBNGRNNVEMD-UHFFFAOYSA-N Synonym: 2-bromomethyl-5-trifluoromethyl furan,2-bromomethyl-5-trifluoromethyl-furan,furan, 2-bromomethyl-5-trifluoromethyl,pubchem13345,5-trifluoromethyl furfuryl bromide,2-bromomethyl-5-trifloromethyl furan,5-bromomethyl-2-trifluoromethyl furan PubChem CID: 2794605 IUPAC Name: 2-(bromomethyl)-5-(trifluoromethyl)furan SMILES: FC(F)(F)C1=CC=C(CBr)O1

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Specifications

PubChem CID	2794605
CAS	17515-77-4
Molecular Weight (g/mol)	229.00
MDL Number	MFCD03086219
SMILES	FC(F)(F)C1=CC=C(CBr)O1
Synonym	2-bromomethyl-5-trifluoromethyl furan,2-bromomethyl-5-trifluoromethyl-furan,furan, 2-bromomethyl-5-trifluoromethyl,pubchem13345,5-trifluoromethyl furfuryl bromide,2-bromomethyl-5-trifloromethyl furan,5-bromomethyl-2-trifluoromethyl furan
IUPAC Name	2-(bromomethyl)-5-(trifluoromethyl)furan
InChI Key	YNHVBNGRNNVEMD-UHFFFAOYSA-N
Molecular Formula	C6H4BrF3O

Imidazole (Molecular Biology), Fisher BioReagents™,50g

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Specifications

PubChem CID	795
CAS	288-32-4
Molecular Weight (g/mol)	68.08
ChEBI	CHEBI:16069
MDL Number	MFCD00005183
SMILES	N1C=CN=C1
Synonym	imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole
IUPAC Name	1H-imidazole
InChI Key	RAXXELZNTBOGNW-UHFFFAOYSA-N
Molecular Formula	C3H4N2

N-BOC-Pyrrole, 98%

CAS: 5176-27-2 Molecular Formula: C₉H₁₃NO₂ Molecular Weight (g/mol): 167.21 InChI Key: IZPYBIJFRFWRPR-UHFFFAOYSA-N Synonym: tert-butyl 1h-pyrrole-1-carboxylate,n-boc-pyrrole,n-t-boc-pyrrole,tert-butyl 1-pyrrolecarboxylate,t-butyl 1h-pyrrole-1-carboxylate,1h-pyrrole-1-carboxylic acid, 1,1-dimethylethyl ester,n-tert-butoxycarbonyl-1h-pyrrole,1-boc pyrrole,1-boc-pyrrole,acmc-209kvp PubChem CID: 643494 IUPAC Name: tert-butyl pyrrole-1-carboxylate SMILES: CC(C)(C)OC(=O)N1C=CC=C1

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Specifications

PubChem CID	643494
CAS	5176-27-2
Molecular Weight (g/mol)	167.21
SMILES	CC(C)(C)OC(=O)N1C=CC=C1
Synonym	tert-butyl 1h-pyrrole-1-carboxylate,n-boc-pyrrole,n-t-boc-pyrrole,tert-butyl 1-pyrrolecarboxylate,t-butyl 1h-pyrrole-1-carboxylate,1h-pyrrole-1-carboxylic acid, 1,1-dimethylethyl ester,n-tert-butoxycarbonyl-1h-pyrrole,1-boc pyrrole,1-boc-pyrrole,acmc-209kvp
IUPAC Name	tert-butyl pyrrole-1-carboxylate
InChI Key	IZPYBIJFRFWRPR-UHFFFAOYSA-N
Molecular Formula	C₉H₁₃NO₂

2-Pyrimidinecarbonitrile, 98%

CAS: 14080-23-0 Molecular Formula: C5H3N3 Molecular Weight (g/mol): 105.10 MDL Number: MFCD00160513 InChI Key: IIHQNAXFIODVDU-UHFFFAOYSA-N Synonym: 2-cyanopyrimidine,2-pyrimidinecarbonitrile,2-cyano-pyrimidine,2-cyano pyrimidine,cyanopyrimidine,provastatin,pyrimidinecarbonitrile,zlchem 283,pubchem7042,pyrimidin-2-carbonitrile PubChem CID: 2757979 IUPAC Name: pyrimidine-2-carbonitrile SMILES: N#CC1=NC=CC=N1

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Specifications

PubChem CID	2757979
CAS	14080-23-0
Molecular Weight (g/mol)	105.10
MDL Number	MFCD00160513
SMILES	N#CC1=NC=CC=N1
Synonym	2-cyanopyrimidine,2-pyrimidinecarbonitrile,2-cyano-pyrimidine,2-cyano pyrimidine,cyanopyrimidine,provastatin,pyrimidinecarbonitrile,zlchem 283,pubchem7042,pyrimidin-2-carbonitrile
IUPAC Name	pyrimidine-2-carbonitrile
InChI Key	IIHQNAXFIODVDU-UHFFFAOYSA-N
Molecular Formula	C5H3N3

Pyrazine, 99+%

CAS: 290-37-9 Molecular Formula: C₄H₄N₂ Molecular Weight (g/mol): 80.09 InChI Key: KYQCOXFCLRTKLS-UHFFFAOYSA-N Synonym: 1,4-diazine,p-diazine,paradiazine,piazine,1,4-diazabenzene,pyrazin,ccris 1331,1,4-diazin,mixture,mu-pyrazine; PubChem CID: 9261 ChEBI: CHEBI:30953 IUPAC Name: pyrazine SMILES: C1=CN=CC=N1

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Specifications

PubChem CID	9261
CAS	290-37-9
Molecular Weight (g/mol)	80.09
ChEBI	CHEBI:30953
SMILES	C1=CN=CC=N1
Synonym	1,4-diazine,p-diazine,paradiazine,piazine,1,4-diazabenzene,pyrazin,ccris 1331,1,4-diazin,mixture,mu-pyrazine;
IUPAC Name	pyrazine
InChI Key	KYQCOXFCLRTKLS-UHFFFAOYSA-N
Molecular Formula	C₄H₄N₂

4-Benzylpyridine, 97%, Thermo Scientific™

CAS: 2116-65-6 Molecular Formula: C12H11N Molecular Weight (g/mol): 169.23 MDL Number: MFCD00006443 InChI Key: DBOLXXRVIFGDTI-UHFFFAOYSA-N Synonym: pyridine, 4-phenylmethyl,pyridine, 4-benzyl,4-benzyl-pyridine,gamma-benzylpyridine,.gamma.-benzylpyridine,4-phenylmethyl pyridine,unii-1p29gqm0oh,1p29gqm0oh,4-benzyl pyridine,4-benzylpyridine PubChem CID: 16458 IUPAC Name: 4-benzylpyridine SMILES: C(C1=CC=CC=C1)C1=CC=NC=C1

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PubChem CID	16458
CAS	2116-65-6
Molecular Weight (g/mol)	169.23
MDL Number	MFCD00006443
SMILES	C(C1=CC=CC=C1)C1=CC=NC=C1
Synonym	pyridine, 4-phenylmethyl,pyridine, 4-benzyl,4-benzyl-pyridine,gamma-benzylpyridine,.gamma.-benzylpyridine,4-phenylmethyl pyridine,unii-1p29gqm0oh,1p29gqm0oh,4-benzyl pyridine,4-benzylpyridine
IUPAC Name	4-benzylpyridine
InChI Key	DBOLXXRVIFGDTI-UHFFFAOYSA-N
Molecular Formula	C12H11N

Tetrazole, 3 to 4 wt.% solution in acetonitrile, AcroSeal™

CAS: 288-94-8 | CH₂N₄ | 70.05 g/mol

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Specifications

Boiling Point	77°C
Molecular Weight (g/mol)	70.05
ChEBI	CHEBI:33193
Color	Cream to Orange
Physical Form	Crystalline Powder
Chemical Name or Material	Tetrazole
SMILES	C1=NNN=N1
InChI Key	KJUGUADJHNHALS-UHFFFAOYSA-N
Density	0.8000g/mL
PubChem CID	67519
CAS	75-05-8
Health Hazard 3	GHS P Statement IF ON SKIN: Wash with plenty of soap and water. IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell. IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing. Wea
Health Hazard 2	GHS H Statement Highly flammable liquid and vapour. Causes serious eye irritation. Harmful if swallowed. Harmful if inhaled. Harmful in contact with skin.
Packaging	AcroSeal™ Glass Bottle
Flash Point	5°C
Health Hazard 1	GHS Signal Word: Danger
IUPAC Name	2H-tetrazole
Molecular Formula	CH₂N₄
EINECS Number	206-023-4
Formula Weight	70.05
Specific Gravity	0.8

2,3,5-Trimethylfuran, 99%

CAS: 10504-04-8 Molecular Formula: C7H10O Molecular Weight (g/mol): 110.16 MDL Number: MFCD03931179 InChI Key: NJXZFRUNHWKHEC-UHFFFAOYSA-N Synonym: furan, 2,3,5-trimethyl,2,3,5-trimethyl-furan,furan,2,3,5-trimethyl PubChem CID: 517859 IUPAC Name: 2,3,5-trimethylfuran SMILES: CC1=CC(C)=C(C)O1

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PubChem CID	517859
CAS	10504-04-8
Molecular Weight (g/mol)	110.16
MDL Number	MFCD03931179
SMILES	CC1=CC(C)=C(C)O1
Synonym	furan, 2,3,5-trimethyl,2,3,5-trimethyl-furan,furan,2,3,5-trimethyl
IUPAC Name	2,3,5-trimethylfuran
InChI Key	NJXZFRUNHWKHEC-UHFFFAOYSA-N
Molecular Formula	C7H10O

Pyrazinecarbonitrile, 99%

CAS: 19847-12-2 Molecular Formula: C5H3N3 Molecular Weight (g/mol): 105.10 MDL Number: MFCD00049361 InChI Key: PMSVVUSIPKHUMT-UHFFFAOYSA-N Synonym: pyrazinecarbonitrile,2-cyanopyrazine,cyanopyrazine,2-pyrazinecarbonitrile,pyrazinenitrile,pyrazinonitrile,2-cyanopyarine,2-cyano pyrazine PubChem CID: 73172 ChEBI: CHEBI:3982 IUPAC Name: pyrazine-2-carbonitrile SMILES: N#CC1=CN=CC=N1

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Specifications

PubChem CID	73172
CAS	19847-12-2
Molecular Weight (g/mol)	105.10
ChEBI	CHEBI:3982
MDL Number	MFCD00049361
SMILES	N#CC1=CN=CC=N1
Synonym	pyrazinecarbonitrile,2-cyanopyrazine,cyanopyrazine,2-pyrazinecarbonitrile,pyrazinenitrile,pyrazinonitrile,2-cyanopyarine,2-cyano pyrazine
IUPAC Name	pyrazine-2-carbonitrile
InChI Key	PMSVVUSIPKHUMT-UHFFFAOYSA-N
Molecular Formula	C5H3N3

2-Methylbenzothiazole, 99%

CAS: 120-75-2 Molecular Formula: C₈H₇NS Molecular Weight (g/mol): 149.21 InChI Key: DXYYSGDWQCSKKO-UHFFFAOYSA-N Synonym: 2-methylbenzothiazole,benzothiazole, 2-methyl,2-methybenzothiazole,2-methyl-benzothiazole,benzothiazole, methyl,usaf ek-1853,unii-7lx1xe6h8w,2-methylbenzo d thiazole,2-methyl benzothiazole,7lx1xe6h8w PubChem CID: 8446 IUPAC Name: 2-methyl-1,3-benzothiazole SMILES: CC1=NC2=CC=CC=C2S1

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PubChem CID	8446
CAS	120-75-2
Molecular Weight (g/mol)	149.21
SMILES	CC1=NC2=CC=CC=C2S1
Synonym	2-methylbenzothiazole,benzothiazole, 2-methyl,2-methybenzothiazole,2-methyl-benzothiazole,benzothiazole, methyl,usaf ek-1853,unii-7lx1xe6h8w,2-methylbenzo d thiazole,2-methyl benzothiazole,7lx1xe6h8w
IUPAC Name	2-methyl-1,3-benzothiazole
InChI Key	DXYYSGDWQCSKKO-UHFFFAOYSA-N
Molecular Formula	C₈H₇NS

4,7-Phenanthroline, 98%

CAS: 230-07-9 Molecular Formula: C₁₂H₈N₂ Molecular Weight (g/mol): 180.21 MDL Number: MFCD00004987 InChI Key: DATYUTWESAKQQM-UHFFFAOYSA-N Synonym: 4,7 phenanthroline,pyridino 3,2-f quinoline,acmc-1conx,4,7-phenanthroline,bidd:gt0447,chembl81429 PubChem CID: 67472 ChEBI: CHEBI:36419 IUPAC Name: 4,7-phenanthroline SMILES: C1=CC2=C(C=CC3=C2C=CC=N3)N=C1

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Specifications

PubChem CID	67472
CAS	230-07-9
Molecular Weight (g/mol)	180.21
ChEBI	CHEBI:36419
MDL Number	MFCD00004987
SMILES	C1=CC2=C(C=CC3=C2C=CC=N3)N=C1
Synonym	4,7 phenanthroline,pyridino 3,2-f quinoline,acmc-1conx,4,7-phenanthroline,bidd:gt0447,chembl81429
IUPAC Name	4,7-phenanthroline
InChI Key	DATYUTWESAKQQM-UHFFFAOYSA-N
Molecular Formula	C₁₂H₈N₂

2,3-Dimethylquinoxaline, 97%

CAS: 2379-55-7 MDL Number: MFCD00006728 InChI Key: FKHNZQFCDGOQGV-UHFFFAOYSA-N PubChem CID: 16925 IUPAC Name: 2,3-dimethylquinoxaline SMILES: CC1=NC2=CC=CC=C2N=C1C

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Specifications

PubChem CID	16925
CAS	2379-55-7
MDL Number	MFCD00006728
SMILES	CC1=NC2=CC=CC=C2N=C1C
IUPAC Name	2,3-dimethylquinoxaline
InChI Key	FKHNZQFCDGOQGV-UHFFFAOYSA-N

2,4,6-Tris(2-pyridyl)-s-triazine, For Spectrophotometric Det. of Fe, 99.0% (HPLC), MilliporeSigma™ Supelco™

CAS: 3682-35-7 Molecular Formula: C18H12N6 Molecular Weight (g/mol): 312.34 MDL Number: MFCD00006045 InChI Key: KMVWNDHKTPHDMT-UHFFFAOYSA-N Synonym: 2,4,6-Tri(2-pyridyl)-s-triazine; TPTZ IUPAC Name: tris(pyridin-2-yl)-1,3,5-triazine SMILES: C1=CC=C(N=C1)C1=NC(=NC(=N1)C1=CC=CC=N1)C1=CC=CC=N1

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Specifications

CAS	3682-35-7
Molecular Weight (g/mol)	312.34
MDL Number	MFCD00006045
SMILES	C1=CC=C(N=C1)C1=NC(=NC(=N1)C1=CC=CC=N1)C1=CC=CC=N1
Synonym	2,4,6-Tri(2-pyridyl)-s-triazine; TPTZ
IUPAC Name	tris(pyridin-2-yl)-1,3,5-triazine
InChI Key	KMVWNDHKTPHDMT-UHFFFAOYSA-N
Molecular Formula	C18H12N6

2,4,6-Tris(2-pyridyl)-s-triazine, For Spectrophotometric Det. of Fe, 98%, MilliporeSigma™ Supelco™

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Specifications

CAS	3682-35-7
Molecular Weight (g/mol)	312.34
MDL Number	MFCD00006045
SMILES	C1=CC=C(N=C1)C1=NC(=NC(=N1)C1=CC=CC=N1)C1=CC=CC=N1
Synonym	2,4,6-Tri(2-pyridyl)-s-triazine; TPTZ
IUPAC Name	tris(pyridin-2-yl)-1,3,5-triazine
InChI Key	KMVWNDHKTPHDMT-UHFFFAOYSA-N
Molecular Formula	C18H12N6

Heteroaromatic compounds

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