Organopnictogen compounds

Organic compounds that contain one or more atoms in the pnictogen group (group 15 of the periodic table) which consists of nitrogen, phosphorus, arsenic, antimony, bismuth, and ununpentium.

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Saccharin Sodium (Powder/USP/FCC), Fisher Chemical™

CAS: 128-44-9 Molecular Formula: C7H9NNaO5S Molecular Weight (g/mol): 242.201 MDL Number: MFCD00013092 InChI Key: UQKRDMFNUSMUCB-UHFFFAOYSA-N Synonym: saccharin sodium dihydrate,saccharin sodium,sodium saccharin,saccharin soluble,saccharin sodium salt hydrate,1,2-benzisothiazol-3 2h-one, 1,1-dioxide, sodium salt, dihydrate,o-sulfobenzimide sodium salt,2-sulfobenzoic acid imide sodium salt,saccharin sodium salt dihydrate,c7h4nnao3s.2h2o PubChem CID: 46942257 IUPAC Name: 1,1-dioxo-1,2-benzothiazol-3-one;sodium;dihydrate SMILES: C1=CC=C2C(=C1)C(=O)NS2(=O)=O.O.O.[Na]

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Specifications

PubChem CID	46942257
CAS	128-44-9
Molecular Weight (g/mol)	242.201
MDL Number	MFCD00013092
SMILES	C1=CC=C2C(=C1)C(=O)NS2(=O)=O.O.O.[Na]
Synonym	saccharin sodium dihydrate,saccharin sodium,sodium saccharin,saccharin soluble,saccharin sodium salt hydrate,1,2-benzisothiazol-3 2h-one, 1,1-dioxide, sodium salt, dihydrate,o-sulfobenzimide sodium salt,2-sulfobenzoic acid imide sodium salt,saccharin sodium salt dihydrate,c7h4nnao3s.2h2o
IUPAC Name	1,1-dioxo-1,2-benzothiazol-3-one;sodium;dihydrate
InChI Key	UQKRDMFNUSMUCB-UHFFFAOYSA-N
Molecular Formula	C7H9NNaO5S

3-Oxobutanenitrile, 96%

CAS: 2469-99-0 Molecular Formula: C4H5NO Molecular Weight (g/mol): 83.09 MDL Number: MFCD05861381 InChI Key: OPXYNEYEDHAXOM-UHFFFAOYSA-N Synonym: 3-oxobutyronitrile,3-oxo-butyronitrile,butanenitrile, 3-oxo,cyanoacetone,cyanaceton,a-cyanoacetone,acetoacetonitrile,acetylacetonitrile,1-cyano-2-propanone,alpha-acetylacetonitrile PubChem CID: 75579 IUPAC Name: 3-oxobutanenitrile SMILES: CC(=O)CC#N

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Specifications

PubChem CID	75579
CAS	2469-99-0
Molecular Weight (g/mol)	83.09
MDL Number	MFCD05861381
SMILES	CC(=O)CC#N
Synonym	3-oxobutyronitrile,3-oxo-butyronitrile,butanenitrile, 3-oxo,cyanoacetone,cyanaceton,a-cyanoacetone,acetoacetonitrile,acetylacetonitrile,1-cyano-2-propanone,alpha-acetylacetonitrile
IUPAC Name	3-oxobutanenitrile
InChI Key	OPXYNEYEDHAXOM-UHFFFAOYSA-N
Molecular Formula	C4H5NO

4-n-Dodecylaniline, 95%

CAS: 104-42-7 Molecular Formula: C18H31N Molecular Weight (g/mol): 261.453 MDL Number: MFCD00007919 InChI Key: KLPPPIIIEMUEGP-UHFFFAOYSA-N Synonym: p-dodecylaniline,benzenamine, 4-dodecyl,p-dodecyl aniline,4-dodecylphenylamine,4-n-dodecylamine,p-n-dodecylaniline,paradodecyl aniline,acmc-20amjq,4-dodecylaniline,ksc180i8p PubChem CID: 7701 IUPAC Name: 4-dodecylaniline SMILES: CCCCCCCCCCCCC1=CC=C(C=C1)N

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PubChem CID	7701
CAS	104-42-7
Molecular Weight (g/mol)	261.453
MDL Number	MFCD00007919
SMILES	CCCCCCCCCCCCC1=CC=C(C=C1)N
Synonym	p-dodecylaniline,benzenamine, 4-dodecyl,p-dodecyl aniline,4-dodecylphenylamine,4-n-dodecylamine,p-n-dodecylaniline,paradodecyl aniline,acmc-20amjq,4-dodecylaniline,ksc180i8p
IUPAC Name	4-dodecylaniline
InChI Key	KLPPPIIIEMUEGP-UHFFFAOYSA-N
Molecular Formula	C18H31N

2,6-Diaminotoluene, 98%

CAS: 823-40-5 Molecular Formula: C7H10N2 Molecular Weight (g/mol): 122.17 MDL Number: MFCD00007800 InChI Key: RLYCRLGLCUXUPO-UHFFFAOYSA-N Synonym: 2,6-diaminotoluene,2,6-toluenediamine,1,3-benzenediamine, 2-methyl,toluene-2,6-diamine,2,6-tolylenediamine,2,6-toluylenediamine,2,6-diamino-1-methylbenzene,2-methyl-1,3-benzenediamine,2-methyl-1,3-phenylenediamine,2-methyl-m-phenylenediamine PubChem CID: 13205 ChEBI: CHEBI:76288 IUPAC Name: 2-methylbenzene-1,3-diamine SMILES: CC1=C(N)C=CC=C1N

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Specifications

PubChem CID	13205
CAS	823-40-5
Molecular Weight (g/mol)	122.17
ChEBI	CHEBI:76288
MDL Number	MFCD00007800
SMILES	CC1=C(N)C=CC=C1N
Synonym	2,6-diaminotoluene,2,6-toluenediamine,1,3-benzenediamine, 2-methyl,toluene-2,6-diamine,2,6-tolylenediamine,2,6-toluylenediamine,2,6-diamino-1-methylbenzene,2-methyl-1,3-benzenediamine,2-methyl-1,3-phenylenediamine,2-methyl-m-phenylenediamine
IUPAC Name	2-methylbenzene-1,3-diamine
InChI Key	RLYCRLGLCUXUPO-UHFFFAOYSA-N
Molecular Formula	C7H10N2

Benzonitrile, 99+%, for spectroscopy

CAS: 100-47-0 Molecular Formula: C₇H₅N Molecular Weight (g/mol): 103.12 MDL Number: MFCD00001770 InChI Key: JFDZBHWFFUWGJE-UHFFFAOYSA-N Synonym: phenyl cyanide,cyanobenzene,benzenenitrile,benzoic acid nitrile,benzene, cyano,benzenecarbonitrile,phenylcyanide,fenylkyanid,fenylkyanid czech,benzonitril PubChem CID: 7505 ChEBI: CHEBI:27991 IUPAC Name: benzonitrile SMILES: C1=CC=C(C=C1)C#N

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Specifications

PubChem CID	7505
CAS	100-47-0
Molecular Weight (g/mol)	103.12
ChEBI	CHEBI:27991
MDL Number	MFCD00001770
SMILES	C1=CC=C(C=C1)C#N
Synonym	phenyl cyanide,cyanobenzene,benzenenitrile,benzoic acid nitrile,benzene, cyano,benzenecarbonitrile,phenylcyanide,fenylkyanid,fenylkyanid czech,benzonitril
IUPAC Name	benzonitrile
InChI Key	JFDZBHWFFUWGJE-UHFFFAOYSA-N
Molecular Formula	C₇H₅N

Trimethylacetylacetonitrile, 99%, Thermo Scientific Chemicals

CAS: 59997-51-2 Molecular Formula: C7H11NO Molecular Weight (g/mol): 125.171 MDL Number: MFCD00010208 InChI Key: MXZMACXOMZKYHJ-UHFFFAOYSA-N Synonym: pivaloylacetonitrile,trimethylacetylacetonitrile,4,4-dimethyl-3-oxovaleronitrile,pentanenitrile, 4,4-dimethyl-3-oxo,4,4-dimethyl-3-oxo-pentanenitrile,cyanopinacolone,pivaloyl acetonitrile,1-cyano-3,3-dimethyl-2-butanone,valeronitrile, 4,4-dimethyl-3-oxo,pyvaolylacetonitrile PubChem CID: 108871 IUPAC Name: 4,4-dimethyl-3-oxopentanenitrile SMILES: CC(C)(C)C(=O)CC#N

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Specifications

PubChem CID	108871
CAS	59997-51-2
Molecular Weight (g/mol)	125.171
MDL Number	MFCD00010208
SMILES	CC(C)(C)C(=O)CC#N
Synonym	pivaloylacetonitrile,trimethylacetylacetonitrile,4,4-dimethyl-3-oxovaleronitrile,pentanenitrile, 4,4-dimethyl-3-oxo,4,4-dimethyl-3-oxo-pentanenitrile,cyanopinacolone,pivaloyl acetonitrile,1-cyano-3,3-dimethyl-2-butanone,valeronitrile, 4,4-dimethyl-3-oxo,pyvaolylacetonitrile
IUPAC Name	4,4-dimethyl-3-oxopentanenitrile
InChI Key	MXZMACXOMZKYHJ-UHFFFAOYSA-N
Molecular Formula	C7H11NO

1,3-Diphenylguanidine, 97%

CAS: 102-06-7 Molecular Formula: C13H13N3 Molecular Weight (g/mol): 211.268 MDL Number: MFCD00001758 InChI Key: OWRCNXZUPFZXOS-UHFFFAOYSA-N Synonym: 1,3-diphenylguanidine,diphenylguanidine,vulkazit,accelerator d,n,n'-diphenylguanidine,melaniline,denax,vulkacite d,nocceler d,vulkacit d PubChem CID: 7594 IUPAC Name: 1,2-diphenylguanidine SMILES: C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N

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Specifications

PubChem CID	7594
CAS	102-06-7
Molecular Weight (g/mol)	211.268
MDL Number	MFCD00001758
SMILES	C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N
Synonym	1,3-diphenylguanidine,diphenylguanidine,vulkazit,accelerator d,n,n'-diphenylguanidine,melaniline,denax,vulkacite d,nocceler d,vulkacit d
IUPAC Name	1,2-diphenylguanidine
InChI Key	OWRCNXZUPFZXOS-UHFFFAOYSA-N
Molecular Formula	C13H13N3

Phenylphosphine

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3-Aminobenzonitrile, 99%

CAS: 2237-30-1 Molecular Formula: C7H6N2 Molecular Weight (g/mol): 118.139 MDL Number: MFCD00007756 InChI Key: NJXPYZHXZZCTNI-UHFFFAOYSA-N Synonym: 3-cyanoaniline,m-aminobenzonitrile,m-cyanoaniline,3-amino-benzonitrile,3-aminobenzonitril,benzonitrile, m-amino,m-anthranilonitrile,benzonitrile, 3-amino,unii-15v3cw939x,3-amino benzonitrile PubChem CID: 16702 IUPAC Name: 3-aminobenzonitrile SMILES: C1=CC(=CC(=C1)N)C#N

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Specifications

PubChem CID	16702
CAS	2237-30-1
Molecular Weight (g/mol)	118.139
MDL Number	MFCD00007756
SMILES	C1=CC(=CC(=C1)N)C#N
Synonym	3-cyanoaniline,m-aminobenzonitrile,m-cyanoaniline,3-amino-benzonitrile,3-aminobenzonitril,benzonitrile, m-amino,m-anthranilonitrile,benzonitrile, 3-amino,unii-15v3cw939x,3-amino benzonitrile
IUPAC Name	3-aminobenzonitrile
InChI Key	NJXPYZHXZZCTNI-UHFFFAOYSA-N
Molecular Formula	C7H6N2

3-Methyl-1-phenyl-2-pyrazolin-5-one, 99%

CAS: 89-25-8 Molecular Formula: C₁₀H₁₀N₂O Molecular Weight (g/mol): 174.2 MDL Number: MFCD00003138 InChI Key: QELUYTUMUWHWMC-UHFFFAOYSA-N Synonym: edaravone,3-methyl-1-phenyl-2-pyrazolin-5-one,norphenazone,radicut,1-phenyl-3-methyl-5-pyrazolone,developer z,methylphenylpyrazolone,norantipyrine,c.i. developer 1,phenylmethylpyrazolone PubChem CID: 4021 ChEBI: CHEBI:31530 IUPAC Name: 5-methyl-2-phenyl-4H-pyrazol-3-one SMILES: CC1=NN(C(=O)C1)C2=CC=CC=C2

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Specifications

PubChem CID	4021
CAS	89-25-8
Molecular Weight (g/mol)	174.2
ChEBI	CHEBI:31530
MDL Number	MFCD00003138
SMILES	CC1=NN(C(=O)C1)C2=CC=CC=C2
Synonym	edaravone,3-methyl-1-phenyl-2-pyrazolin-5-one,norphenazone,radicut,1-phenyl-3-methyl-5-pyrazolone,developer z,methylphenylpyrazolone,norantipyrine,c.i. developer 1,phenylmethylpyrazolone
IUPAC Name	5-methyl-2-phenyl-4H-pyrazol-3-one
InChI Key	QELUYTUMUWHWMC-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₀N₂O

2,4,6-Trimethylbenzonitrile, 98%

CAS: 2571-52-0 Molecular Formula: C10H11N Molecular Weight (g/mol): 145.205 MDL Number: MFCD00016378 InChI Key: SNIZBGQMWRHNDY-UHFFFAOYSA-N Synonym: mesitonitrile,benzonitrile, 2,4,6-trimethyl,2,4,6-trimethyl-benzonitrile,.beta.-isodurylonitrile,2,4,6-trimethylbenzenecarbonitrile,cyanmesitylen,cyanomesitylene,mesitylnitrile,acmc-1cee4,benzonitrile,2,4,6-trimethyl PubChem CID: 137649 IUPAC Name: 2,4,6-trimethylbenzonitrile SMILES: CC1=CC(=C(C(=C1)C)C#N)C

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Specifications

PubChem CID	137649
CAS	2571-52-0
Molecular Weight (g/mol)	145.205
MDL Number	MFCD00016378
SMILES	CC1=CC(=C(C(=C1)C)C#N)C
Synonym	mesitonitrile,benzonitrile, 2,4,6-trimethyl,2,4,6-trimethyl-benzonitrile,.beta.-isodurylonitrile,2,4,6-trimethylbenzenecarbonitrile,cyanmesitylen,cyanomesitylene,mesitylnitrile,acmc-1cee4,benzonitrile,2,4,6-trimethyl
IUPAC Name	2,4,6-trimethylbenzonitrile
InChI Key	SNIZBGQMWRHNDY-UHFFFAOYSA-N
Molecular Formula	C10H11N

3,4-Diaminotoluene, 97%

CAS: 496-72-0 Molecular Formula: C₇H₁₀N₂ Molecular Weight (g/mol): 122.17 MDL Number: MFCD00007728 InChI Key: DGRGLKZMKWPMOH-UHFFFAOYSA-N Synonym: 3,4-diaminotoluene,3,4-toluenediamine,1,2-benzenediamine, 4-methyl,4-methyl-o-phenylenediamine,toluene-3,4-diamine,4-methyl-1,2-phenylenediamine,4-methyl-1,2-benzenediamine,3,4-tolylenediamine,3,4-toluylenediamine,1,2-diamino-4-methylbenzene PubChem CID: 10332 IUPAC Name: 4-methylbenzene-1,2-diamine SMILES: CC1=CC(=C(C=C1)N)N

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Specifications

PubChem CID	10332
CAS	496-72-0
Molecular Weight (g/mol)	122.17
MDL Number	MFCD00007728
SMILES	CC1=CC(=C(C=C1)N)N
Synonym	3,4-diaminotoluene,3,4-toluenediamine,1,2-benzenediamine, 4-methyl,4-methyl-o-phenylenediamine,toluene-3,4-diamine,4-methyl-1,2-phenylenediamine,4-methyl-1,2-benzenediamine,3,4-tolylenediamine,3,4-toluylenediamine,1,2-diamino-4-methylbenzene
IUPAC Name	4-methylbenzene-1,2-diamine
InChI Key	DGRGLKZMKWPMOH-UHFFFAOYSA-N
Molecular Formula	C₇H₁₀N₂

tert-Butyl N-hydroxycarbamate, 98+%

CAS: 36016-38-3 Molecular Formula: C5H11NO3 Molecular Weight (g/mol): 133.15 MDL Number: MFCD00002107 InChI Key: DRDVJQOGFWAVLH-UHFFFAOYSA-N Synonym: n-boc-hydroxylamine,n-tert-butoxycarbonylhydroxylamine,tert-butyl hydroxycarbamate,boc-amino alcohol,carbamic acid, hydroxy-, 1,1-dimethylethyl ester,n-hydroxycarbamic acid tert-butyl ester,tert-butyl-n-hydroxycarbamate,n-tert-boc-hydroxylamine,t-butyl n-hydroxycarbamate,n-tert-butyloxycarbonylhydroxylamine PubChem CID: 97534 IUPAC Name: tert-butyl N-hydroxycarbamate SMILES: CC(C)(C)OC(=O)NO

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Specifications

PubChem CID	97534
CAS	36016-38-3
Molecular Weight (g/mol)	133.15
MDL Number	MFCD00002107
SMILES	CC(C)(C)OC(=O)NO
Synonym	n-boc-hydroxylamine,n-tert-butoxycarbonylhydroxylamine,tert-butyl hydroxycarbamate,boc-amino alcohol,carbamic acid, hydroxy-, 1,1-dimethylethyl ester,n-hydroxycarbamic acid tert-butyl ester,tert-butyl-n-hydroxycarbamate,n-tert-boc-hydroxylamine,t-butyl n-hydroxycarbamate,n-tert-butyloxycarbonylhydroxylamine
IUPAC Name	tert-butyl N-hydroxycarbamate
InChI Key	DRDVJQOGFWAVLH-UHFFFAOYSA-N
Molecular Formula	C5H11NO3

4-n-Heptylaniline, 98%

CAS: 37529-27-4 Molecular Formula: C13H21N Molecular Weight (g/mol): 191.32 MDL Number: MFCD00007928 InChI Key: BNEWZYZRLNNWNR-UHFFFAOYSA-N Synonym: p-heptylaniline,4-n-heptylaniline,benzenamine, 4-heptyl,4-heptylphenylamine,acmc-209ito,4-heptylaniline PubChem CID: 142169 IUPAC Name: 4-heptylaniline SMILES: CCCCCCCC1=CC=C(N)C=C1

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Specifications

PubChem CID	142169
CAS	37529-27-4
Molecular Weight (g/mol)	191.32
MDL Number	MFCD00007928
SMILES	CCCCCCCC1=CC=C(N)C=C1
Synonym	p-heptylaniline,4-n-heptylaniline,benzenamine, 4-heptyl,4-heptylphenylamine,acmc-209ito,4-heptylaniline
IUPAC Name	4-heptylaniline
InChI Key	BNEWZYZRLNNWNR-UHFFFAOYSA-N
Molecular Formula	C13H21N

4-Ethylaniline, 99+%

CAS: 589-16-2 Molecular Formula: C8H11N Molecular Weight (g/mol): 121.18 MDL Number: MFCD00007921 InChI Key: HRXZRAXKKNUKRF-UHFFFAOYSA-N Synonym: p-ethylaniline,benzenamine, 4-ethyl,4-ethylphenylamine,aniline, 4-ethyl,p-ethylaminobenzene,1-amino-4-ethylbenzene,4-aminoethylbenzene,aniline, p-ethyl,unii-mhx72w1zqv,ccris 5060 PubChem CID: 11504 IUPAC Name: 4-ethylaniline SMILES: CCC1=CC=C(N)C=C1

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Specifications

PubChem CID	11504
CAS	589-16-2
Molecular Weight (g/mol)	121.18
MDL Number	MFCD00007921
SMILES	CCC1=CC=C(N)C=C1
Synonym	p-ethylaniline,benzenamine, 4-ethyl,4-ethylphenylamine,aniline, 4-ethyl,p-ethylaminobenzene,1-amino-4-ethylbenzene,4-aminoethylbenzene,aniline, p-ethyl,unii-mhx72w1zqv,ccris 5060
IUPAC Name	4-ethylaniline
InChI Key	HRXZRAXKKNUKRF-UHFFFAOYSA-N
Molecular Formula	C8H11N

Organopnictogen compounds

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