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Organoheterocyclic compounds

Organic compounds that consist of ring structures, or cyclic compounds that have atoms of at least two different elements as members of its ring(s).
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Keyword Search:
1 – 15 of 28 results
1

1H-Tetrazole, 0.45M in acetonitrile

CAS: 288-94-8 Molecular Formula: CH2N4 Molecular Weight (g/mol): 70.055 MDL Number: MFCD00005247 InChI Key: KJUGUADJHNHALS-UHFFFAOYSA-N PubChem CID: 67519 ChEBI: CHEBI:33193 IUPAC Name: 2H-tetrazole SMILES: C1=NNN=N1

PubChem CID 67519
CAS 288-94-8
Molecular Weight (g/mol) 70.055
ChEBI CHEBI:33193
MDL Number MFCD00005247
SMILES C1=NNN=N1
IUPAC Name 2H-tetrazole
InChI Key KJUGUADJHNHALS-UHFFFAOYSA-N
Molecular Formula CH2N4
2

2-(1-Imidazolyl)acetonitrile, 95%

CAS: 98873-55-3 Molecular Formula: C5H5N3 Molecular Weight (g/mol): 107.116 MDL Number: MFCD06421433 InChI Key: ZPGCVVBPGQJSPX-UHFFFAOYSA-N Synonym: 2-1h-imidazol-1-yl acetonitrile,imidazol-1-yl-acetonitrile,1-cyanomethyl imidazole,1h-imidazole-1-acetonitrile,1h-imidazol-1-ylacetonitrile,2-1-imidazolyl acetonitrile,1-imidazolyl acetonitrile,2-imidazol-1-yl acetonitrile,1h-imidazol-1-yl acetonitrile,1-cyanomethylimidazole PubChem CID: 11804695 IUPAC Name: 2-imidazol-1-ylacetonitrile SMILES: C1=CN(C=N1)CC#N

PubChem CID 11804695
CAS 98873-55-3
Molecular Weight (g/mol) 107.116
MDL Number MFCD06421433
SMILES C1=CN(C=N1)CC#N
Synonym 2-1h-imidazol-1-yl acetonitrile,imidazol-1-yl-acetonitrile,1-cyanomethyl imidazole,1h-imidazole-1-acetonitrile,1h-imidazol-1-ylacetonitrile,2-1-imidazolyl acetonitrile,1-imidazolyl acetonitrile,2-imidazol-1-yl acetonitrile,1h-imidazol-1-yl acetonitrile,1-cyanomethylimidazole
IUPAC Name 2-imidazol-1-ylacetonitrile
InChI Key ZPGCVVBPGQJSPX-UHFFFAOYSA-N
Molecular Formula C5H5N3
3

Benzo[b]furan-3-acetonitrile, 99%

CAS: 52407-43-9 Molecular Formula: C10H7NO Molecular Weight (g/mol): 157.172 MDL Number: MFCD02183555 InChI Key: BJAJKVZABJZXDC-UHFFFAOYSA-N Synonym: 1-benzofuran-3-ylacetonitrile,3-benzo b furylacetonitrile,benzofuran-3-acetonitrile,2-benzofuran-3-yl acetonitrile,benzo b furan-3-acetonitrile,2-3-benzofuranyl acetonitrile,2-1-benzofuran-3-yl acetonitrile,2-benzo b furan-3-ylethanenitrile,pubchem7006,3-benzofuranylacetonitrile PubChem CID: 2769401 IUPAC Name: 2-(1-benzofuran-3-yl)acetonitrile SMILES: C1=CC=C2C(=C1)C(=CO2)CC#N

PubChem CID 2769401
CAS 52407-43-9
Molecular Weight (g/mol) 157.172
MDL Number MFCD02183555
SMILES C1=CC=C2C(=C1)C(=CO2)CC#N
Synonym 1-benzofuran-3-ylacetonitrile,3-benzo b furylacetonitrile,benzofuran-3-acetonitrile,2-benzofuran-3-yl acetonitrile,benzo b furan-3-acetonitrile,2-3-benzofuranyl acetonitrile,2-1-benzofuran-3-yl acetonitrile,2-benzo b furan-3-ylethanenitrile,pubchem7006,3-benzofuranylacetonitrile
IUPAC Name 2-(1-benzofuran-3-yl)acetonitrile
InChI Key BJAJKVZABJZXDC-UHFFFAOYSA-N
Molecular Formula C10H7NO
4

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

CAS: 288-94-8 | CH2N4 | 70.05 g/mol

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
5

(1-Imidazolyl)acetonitrile 98.0+%, TCI America™

CAS: 98873-55-3 Molecular Formula: C5H5N3 Molecular Weight (g/mol): 107.116 MDL Number: MFCD06421433 InChI Key: ZPGCVVBPGQJSPX-UHFFFAOYSA-N Synonym: 2-1h-imidazol-1-yl acetonitrile,imidazol-1-yl-acetonitrile,1-cyanomethyl imidazole,1h-imidazole-1-acetonitrile,1h-imidazol-1-ylacetonitrile,2-1-imidazolyl acetonitrile,1-imidazolyl acetonitrile,2-imidazol-1-yl acetonitrile,1h-imidazol-1-yl acetonitrile,1-cyanomethylimidazole PubChem CID: 11804695 IUPAC Name: 2-imidazol-1-ylacetonitrile SMILES: C1=CN(C=N1)CC#N

PubChem CID 11804695
CAS 98873-55-3
Molecular Weight (g/mol) 107.116
MDL Number MFCD06421433
SMILES C1=CN(C=N1)CC#N
Synonym 2-1h-imidazol-1-yl acetonitrile,imidazol-1-yl-acetonitrile,1-cyanomethyl imidazole,1h-imidazole-1-acetonitrile,1h-imidazol-1-ylacetonitrile,2-1-imidazolyl acetonitrile,1-imidazolyl acetonitrile,2-imidazol-1-yl acetonitrile,1h-imidazol-1-yl acetonitrile,1-cyanomethylimidazole
IUPAC Name 2-imidazol-1-ylacetonitrile
InChI Key ZPGCVVBPGQJSPX-UHFFFAOYSA-N
Molecular Formula C5H5N3
6

Thiophene-2-acetonitrile 98.0+%, TCI America™

CAS: 20893-30-5 Molecular Formula: C6H5NS Molecular Weight (g/mol): 123.173 MDL Number: MFCD00005453 InChI Key: CLSHQIDDCJTHAJ-UHFFFAOYSA-N Synonym: 2-thiopheneacetonitrile,2-thiophen-2-yl acetonitrile,2-thienylacetonitrile,thiophene-2-acetonitrile,2-cyanomethyl thiophene,2-cyanomethylthiophene,2-thiophene-acetonitrile,thiophen-2-yl-acetonitrile,thien-2-ylacetonitrile,thiophen-2-ylacetonitrile PubChem CID: 72880 ChEBI: CHEBI:27382 IUPAC Name: 2-thiophen-2-ylacetonitrile SMILES: C1=CSC(=C1)CC#N

PubChem CID 72880
CAS 20893-30-5
Molecular Weight (g/mol) 123.173
ChEBI CHEBI:27382
MDL Number MFCD00005453
SMILES C1=CSC(=C1)CC#N
Synonym 2-thiopheneacetonitrile,2-thiophen-2-yl acetonitrile,2-thienylacetonitrile,thiophene-2-acetonitrile,2-cyanomethyl thiophene,2-cyanomethylthiophene,2-thiophene-acetonitrile,thiophen-2-yl-acetonitrile,thien-2-ylacetonitrile,thiophen-2-ylacetonitrile
IUPAC Name 2-thiophen-2-ylacetonitrile
InChI Key CLSHQIDDCJTHAJ-UHFFFAOYSA-N
Molecular Formula C6H5NS
7

(2-Benzimidazolyl)acetonitrile 96.0+%, TCI America™

CAS: 4414-88-4 Molecular Formula: C9H7N3 Molecular Weight (g/mol): 157.176 InChI Key: BWOVACANEIVHST-UHFFFAOYSA-N Synonym: 2-benzimidazolyl acetonitrile,2-cyanomethyl benzimidazole,1h-benzimidazole-2-acetonitrile,2-benzimidazoleacetonitrile,2-benzimidazolylacetonitrile,2-cyanomethylbenzimidazole,1h-benzimidazol-2-ylacetonitrile,2-kyanmethylbenzimidazol,benzimidazole, 2-cyanomethyl,2-1h-1,3-benzodiazol-2-yl acetonitrile PubChem CID: 20455 IUPAC Name: 2-(1H-benzimidazol-2-yl)acetonitrile SMILES: C1=CC=C2C(=C1)NC(=N2)CC#N

PubChem CID 20455
CAS 4414-88-4
Molecular Weight (g/mol) 157.176
SMILES C1=CC=C2C(=C1)NC(=N2)CC#N
Synonym 2-benzimidazolyl acetonitrile,2-cyanomethyl benzimidazole,1h-benzimidazole-2-acetonitrile,2-benzimidazoleacetonitrile,2-benzimidazolylacetonitrile,2-cyanomethylbenzimidazole,1h-benzimidazol-2-ylacetonitrile,2-kyanmethylbenzimidazol,benzimidazole, 2-cyanomethyl,2-1h-1,3-benzodiazol-2-yl acetonitrile
IUPAC Name 2-(1H-benzimidazol-2-yl)acetonitrile
InChI Key BWOVACANEIVHST-UHFFFAOYSA-N
Molecular Formula C9H7N3
8

Thiophene-3-acetonitrile 98.0+%, TCI America™

CAS: 13781-53-8 Molecular Formula: C6H5NS Molecular Weight (g/mol): 123.17 MDL Number: MFCD00005471 InChI Key: GWZCLMWEJWPFFA-UHFFFAOYSA-N Synonym: 3-thiopheneacetonitrile,thiophene-3-acetonitrile,2-thiophen-3-yl acetonitrile,3-thienylacetonitrile,3-cyanomethylthiophene,3-thiophene acetonitrile,thien-3-ylacetonitrile,2-3-thienyl acetonitrile,thiophen-3-acetonitrile,2-3-thienyl ethanenitrile PubChem CID: 83730 IUPAC Name: 2-(thiophen-3-yl)acetonitrile SMILES: N#CCC1=CSC=C1

PubChem CID 83730
CAS 13781-53-8
Molecular Weight (g/mol) 123.17
MDL Number MFCD00005471
SMILES N#CCC1=CSC=C1
Synonym 3-thiopheneacetonitrile,thiophene-3-acetonitrile,2-thiophen-3-yl acetonitrile,3-thienylacetonitrile,3-cyanomethylthiophene,3-thiophene acetonitrile,thien-3-ylacetonitrile,2-3-thienyl acetonitrile,thiophen-3-acetonitrile,2-3-thienyl ethanenitrile
IUPAC Name 2-(thiophen-3-yl)acetonitrile
InChI Key GWZCLMWEJWPFFA-UHFFFAOYSA-N
Molecular Formula C6H5NS
9

(Tetrahydrofuran-2-yl)acetonitrile 98.0+%, TCI America™

CAS: 33414-62-9 Molecular Formula: C6H9NO Molecular Weight (g/mol): 111.144 MDL Number: MFCD03206782 InChI Key: LSCVJPYMXOAEPX-UHFFFAOYSA-N Synonym: Tetrahydrofurfurylcarbonitrile, 2-(Cyanomethyl)tetrahydrofuran PubChem CID: 4962721 IUPAC Name: 2-(oxolan-2-yl)acetonitrile SMILES: C1CC(OC1)CC#N

PubChem CID 4962721
CAS 33414-62-9
Molecular Weight (g/mol) 111.144
MDL Number MFCD03206782
SMILES C1CC(OC1)CC#N
Synonym Tetrahydrofurfurylcarbonitrile, 2-(Cyanomethyl)tetrahydrofuran
IUPAC Name 2-(oxolan-2-yl)acetonitrile
InChI Key LSCVJPYMXOAEPX-UHFFFAOYSA-N
Molecular Formula C6H9NO
10

2-Phenyl-2-(2-pyridyl)acetonitrile 98.0+%, TCI America™

CAS: 5005-36-7 Molecular Formula: C13H10N2 Molecular Weight (g/mol): 194.237 MDL Number: MFCD00023497 InChI Key: CAXNYFPECZCGFK-UHFFFAOYSA-N Synonym: alpha-Phenyl-2-pyridineacetonitrile, 2-(alpha-Cyanobenzyl)pyridine PubChem CID: 95510 IUPAC Name: 2-phenyl-2-pyridin-2-ylacetonitrile SMILES: C1=CC=C(C=C1)C(C#N)C2=CC=CC=N2

PubChem CID 95510
CAS 5005-36-7
Molecular Weight (g/mol) 194.237
MDL Number MFCD00023497
SMILES C1=CC=C(C=C1)C(C#N)C2=CC=CC=N2
Synonym alpha-Phenyl-2-pyridineacetonitrile, 2-(alpha-Cyanobenzyl)pyridine
IUPAC Name 2-phenyl-2-pyridin-2-ylacetonitrile
InChI Key CAXNYFPECZCGFK-UHFFFAOYSA-N
Molecular Formula C13H10N2
11

2-Benzothiazoleacetonitrile, 98%

CAS: 56278-50-3 Molecular Formula: C9H6N2S Molecular Weight (g/mol): 174.221 MDL Number: MFCD00051633 InChI Key: ZMZSYUSDGRJZNT-UHFFFAOYSA-N Synonym: benzothiazole-2-acetonitrile,2-benzo d thiazol-2-yl acetonitrile,2-benzothiazoleacetonitrile,2-1,3-benzothiazol-2-yl acetonitrile,benzothiazole-2-yl-acetonitrile,1,3-benzothiazol-2-ylacetonitrile,benzothiazol-2-ylacetonitrile,2-cyanomethyl-1,3-benzothiazole,2-benzothiazol-2-ylethanenitrile,2-cyanomethylbenzothiazole PubChem CID: 342465 IUPAC Name: 2-(1,3-benzothiazol-2-yl)acetonitrile SMILES: C1=CC=C2C(=C1)N=C(S2)CC#N

PubChem CID 342465
CAS 56278-50-3
Molecular Weight (g/mol) 174.221
MDL Number MFCD00051633
SMILES C1=CC=C2C(=C1)N=C(S2)CC#N
Synonym benzothiazole-2-acetonitrile,2-benzo d thiazol-2-yl acetonitrile,2-benzothiazoleacetonitrile,2-1,3-benzothiazol-2-yl acetonitrile,benzothiazole-2-yl-acetonitrile,1,3-benzothiazol-2-ylacetonitrile,benzothiazol-2-ylacetonitrile,2-cyanomethyl-1,3-benzothiazole,2-benzothiazol-2-ylethanenitrile,2-cyanomethylbenzothiazole
IUPAC Name 2-(1,3-benzothiazol-2-yl)acetonitrile
InChI Key ZMZSYUSDGRJZNT-UHFFFAOYSA-N
Molecular Formula C9H6N2S
12

3,4-Methylenedioxyphenylacetonitrile 98.0+%, TCI America™

CAS: 4439-02-5 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005835 InChI Key: ZQPBOYASBNAXOZ-UHFFFAOYSA-N Synonym: 3,4-methylenedioxy phenylacetonitrile,1,3-benzodioxole-5-acetonitrile,3,4-methylenedioxyphenylacetonitrile,2-benzo d 1,3 dioxol-5-yl acetonitrile,3,4-methylenedioxybenzyl cyanide,2-2h-1,3-benzodioxol-5-yl acetonitrile,1,3-benzodioxol-5-ylacetonitrile,2-1,3-benzodioxol-5-yl acetonitrile,3,4-methylenedioxybenzylcyanide,homopiperonylonitrile PubChem CID: 78178 IUPAC Name: 2-(1,3-benzodioxol-5-yl)acetonitrile SMILES: C1OC2=C(O1)C=C(C=C2)CC#N

PubChem CID 78178
CAS 4439-02-5
Molecular Weight (g/mol) 161.16
MDL Number MFCD00005835
SMILES C1OC2=C(O1)C=C(C=C2)CC#N
Synonym 3,4-methylenedioxy phenylacetonitrile,1,3-benzodioxole-5-acetonitrile,3,4-methylenedioxyphenylacetonitrile,2-benzo d 1,3 dioxol-5-yl acetonitrile,3,4-methylenedioxybenzyl cyanide,2-2h-1,3-benzodioxol-5-yl acetonitrile,1,3-benzodioxol-5-ylacetonitrile,2-1,3-benzodioxol-5-yl acetonitrile,3,4-methylenedioxybenzylcyanide,homopiperonylonitrile
IUPAC Name 2-(1,3-benzodioxol-5-yl)acetonitrile
InChI Key ZQPBOYASBNAXOZ-UHFFFAOYSA-N
Molecular Formula C9H7NO2
13

4(5)-Cyanomethylimidazole 99.0+%, TCI America™

CAS: 18502-05-1 Molecular Formula: C5H5N3 Molecular Weight (g/mol): 107.116 MDL Number: MFCD00070306 InChI Key: DQZBHUXBFNBJLX-UHFFFAOYSA-N Synonym: 2-1h-imidazol-4-yl acetonitrile,1h-imidazole-5-acetonitrile,1h-imidazole-4-acetonitrile,2-1h-imidazol-5-yl acetonitrile,1h-imidazol-4-yl-acetonitrile,4 5-cyanomethylimidazole,1h-imidazol-4-yl acetonitrile,2-3h-imidazol-4-yl acetonitrile,4-imidazolyl acetonitrile,1h imidazole-4-acetonitrile PubChem CID: 571973 IUPAC Name: 2-(1H-imidazol-5-yl)acetonitrile SMILES: C1=C(NC=N1)CC#N

PubChem CID 571973
CAS 18502-05-1
Molecular Weight (g/mol) 107.116
MDL Number MFCD00070306
SMILES C1=C(NC=N1)CC#N
Synonym 2-1h-imidazol-4-yl acetonitrile,1h-imidazole-5-acetonitrile,1h-imidazole-4-acetonitrile,2-1h-imidazol-5-yl acetonitrile,1h-imidazol-4-yl-acetonitrile,4 5-cyanomethylimidazole,1h-imidazol-4-yl acetonitrile,2-3h-imidazol-4-yl acetonitrile,4-imidazolyl acetonitrile,1h imidazole-4-acetonitrile
IUPAC Name 2-(1H-imidazol-5-yl)acetonitrile
InChI Key DQZBHUXBFNBJLX-UHFFFAOYSA-N
Molecular Formula C5H5N3
14

2-Pyridineacetonitrile, 97%

CAS: 2739-97-1 Molecular Formula: C7H6N2 Molecular Weight (g/mol): 118.139 MDL Number: MFCD00006346 InChI Key: UKVQBONVSSLJBB-UHFFFAOYSA-N Synonym: 2-pyridylacetonitrile,2-pyridineacetonitrile,pyridine-2-acetonitrile,2-pyridin-2-yl acetonitrile,2-2-pyridyl acetonitrile,2-cyanomethyl pyridine,pyridine-acetonitrile,pyridyl-2-acetonitrile,pyridin-2-ylacetonitrile,pyridin-2-yl acetonitrile PubChem CID: 75959 IUPAC Name: 2-pyridin-2-ylacetonitrile SMILES: C1=CC=NC(=C1)CC#N

PubChem CID 75959
CAS 2739-97-1
Molecular Weight (g/mol) 118.139
MDL Number MFCD00006346
SMILES C1=CC=NC(=C1)CC#N
Synonym 2-pyridylacetonitrile,2-pyridineacetonitrile,pyridine-2-acetonitrile,2-pyridin-2-yl acetonitrile,2-2-pyridyl acetonitrile,2-cyanomethyl pyridine,pyridine-acetonitrile,pyridyl-2-acetonitrile,pyridin-2-ylacetonitrile,pyridin-2-yl acetonitrile
IUPAC Name 2-pyridin-2-ylacetonitrile
InChI Key UKVQBONVSSLJBB-UHFFFAOYSA-N
Molecular Formula C7H6N2
15

2-Pyridinesulfonylacetonitrile, 98%

CAS: 170449-34-0 Molecular Formula: C7H6N2O2S Molecular Weight (g/mol): 182.197 MDL Number: MFCD00041443 InChI Key: SAKACXZDAJXBCI-UHFFFAOYSA-N Synonym: 2-pyridinesulfonylacetonitrile,2-pyridinesulphonylacetonitrile,2-pyridin-2-ylsulfonyl acetonitrile,pyridine-2-sulfonylacetonitrile,2-pyridine-2-sulfonyl acetonitrile,pyridin-2-ylsulfonyl acetonitrile,2-2-pyridylsulfonyl ethanenitrile,maybridge1_004727,acmc-1c3jt,2-pyridinesulfonlyacetonitrile PubChem CID: 519355 IUPAC Name: 2-pyridin-2-ylsulfonylacetonitrile SMILES: C1=CC=NC(=C1)S(=O)(=O)CC#N

PubChem CID 519355
CAS 170449-34-0
Molecular Weight (g/mol) 182.197
MDL Number MFCD00041443
SMILES C1=CC=NC(=C1)S(=O)(=O)CC#N
Synonym 2-pyridinesulfonylacetonitrile,2-pyridinesulphonylacetonitrile,2-pyridin-2-ylsulfonyl acetonitrile,pyridine-2-sulfonylacetonitrile,2-pyridine-2-sulfonyl acetonitrile,pyridin-2-ylsulfonyl acetonitrile,2-2-pyridylsulfonyl ethanenitrile,maybridge1_004727,acmc-1c3jt,2-pyridinesulfonlyacetonitrile
IUPAC Name 2-pyridin-2-ylsulfonylacetonitrile
InChI Key SAKACXZDAJXBCI-UHFFFAOYSA-N
Molecular Formula C7H6N2O2S