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Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.
Hydroxybenzoic Acid Derivatives (14,774)
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1,591 – 1,605 of 57,366 results
1,591

4-(Phenoxymethyl)benzoic acid, 97%, Thermo Scientific™

CAS: 31719-76-3 Molecular Formula: C14H11O3 Molecular Weight (g/mol): 227.24 MDL Number: MFCD00623268 InChI Key: GRBUVHSYBRTCIB-UHFFFAOYSA-M Synonym: 4-phenoxymethyl benzoic acid,4-phenoxymethyl benzenecarboxylic acid,4-phenoxymethyl-benzoic acid,phenoxymethylbenzenecarboxylicacid PubChem CID: 737267 IUPAC Name: 4-(phenoxymethyl)benzoic acid SMILES: [O-]C(=O)C1=CC=C(COC2=CC=CC=C2)C=C1

PubChem CID 737267
CAS 31719-76-3
Molecular Weight (g/mol) 227.24
MDL Number MFCD00623268
SMILES [O-]C(=O)C1=CC=C(COC2=CC=CC=C2)C=C1
Synonym 4-phenoxymethyl benzoic acid,4-phenoxymethyl benzenecarboxylic acid,4-phenoxymethyl-benzoic acid,phenoxymethylbenzenecarboxylicacid
IUPAC Name 4-(phenoxymethyl)benzoic acid
InChI Key GRBUVHSYBRTCIB-UHFFFAOYSA-M
Molecular Formula C14H11O3
1,592

(4-Cyanobenzyl)triphenylphosphonium chloride, 99%

CAS: 20430-33-5 Molecular Formula: C26H21ClNP Molecular Weight (g/mol): 413.88 MDL Number: MFCD00011752 InChI Key: GXMFPJIKPZDNCS-UHFFFAOYSA-M Synonym: 4-cyanobenzyl triphenylphosphonium chloride,4-cyanophenyl methyl triphenylphosphanium chloride,4-triphenylphosphino methyl benzenecarbonitrile, chloride,acmc-20apna,phosphonium, 4-cyanophenyl methyl triphenyl-, chloride,4-cyanobenzyltriphenylphosphonium chloride,p-cyanobenzyl-triphenylphosphonium chloride,4-cyanobenzyl triphenylphosphoniumchloride,4-cyanobenzyl-triphenylphosphonium chloride PubChem CID: 2724468 SMILES: [Cl-].N#CC1=CC=C(C[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1

PubChem CID 2724468
CAS 20430-33-5
Molecular Weight (g/mol) 413.88
MDL Number MFCD00011752
SMILES [Cl-].N#CC1=CC=C(C[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1
Synonym 4-cyanobenzyl triphenylphosphonium chloride,4-cyanophenyl methyl triphenylphosphanium chloride,4-triphenylphosphino methyl benzenecarbonitrile, chloride,acmc-20apna,phosphonium, 4-cyanophenyl methyl triphenyl-, chloride,4-cyanobenzyltriphenylphosphonium chloride,p-cyanobenzyl-triphenylphosphonium chloride,4-cyanobenzyl triphenylphosphoniumchloride,4-cyanobenzyl-triphenylphosphonium chloride
InChI Key GXMFPJIKPZDNCS-UHFFFAOYSA-M
Molecular Formula C26H21ClNP
1,593

3-Nitrobenzyl alcohol, 99%

CAS: 619-25-0 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD00007273 InChI Key: CWNPOQFCIIFQDM-UHFFFAOYSA-N Synonym: 3-nitrobenzyl alcohol,3-nitrophenyl methanol,m-nitrobenzyl alcohol,benzenemethanol, 3-nitro,benzyl alcohol, m-nitro,3-nitrobenzenemethanol,unii-f829x990iv,ccris 7971,3-nitrophenyl methan-1-ol,3-nitrobenzylalcohol PubChem CID: 69267 IUPAC Name: (3-nitrophenyl)methanol SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CO

PubChem CID 69267
CAS 619-25-0
Molecular Weight (g/mol) 153.137
MDL Number MFCD00007273
SMILES C1=CC(=CC(=C1)[N+](=O)[O-])CO
Synonym 3-nitrobenzyl alcohol,3-nitrophenyl methanol,m-nitrobenzyl alcohol,benzenemethanol, 3-nitro,benzyl alcohol, m-nitro,3-nitrobenzenemethanol,unii-f829x990iv,ccris 7971,3-nitrophenyl methan-1-ol,3-nitrobenzylalcohol
IUPAC Name (3-nitrophenyl)methanol
InChI Key CWNPOQFCIIFQDM-UHFFFAOYSA-N
Molecular Formula C7H7NO3
1,594

N-Methyl-4-pyrimidin-2-ylbenzylamine, 90%, Thermo Scientific™

CAS: 886851-48-5 Molecular Formula: C12H13N3 Molecular Weight (g/mol): 199.257 MDL Number: MFCD09702382 InChI Key: DIWVUAYHEYROLA-UHFFFAOYSA-N Synonym: n-methyl-4-pyrimidin-2-ylbenzylamine,n-methyl-1-4-pyrimidin-2-yl phenyl methanamine,methyl 4-pyrimidin-2-yl phenyl methyl amine,n-methyl-4-pyrimidin-2-yl benzylamine,benzenemethanamine,n-methyl-4-2-pyrimidinyl,methyl 4-pyrimidin-2-ylphenyl methyl amine,benzenemethanamine, n-methyl-4-2-pyrimidinyl-9ci PubChem CID: 24229561 IUPAC Name: N-methyl-1-(4-pyrimidin-2-ylphenyl)methanamine SMILES: CNCC1=CC=C(C=C1)C2=NC=CC=N2

PubChem CID 24229561
CAS 886851-48-5
Molecular Weight (g/mol) 199.257
MDL Number MFCD09702382
SMILES CNCC1=CC=C(C=C1)C2=NC=CC=N2
Synonym n-methyl-4-pyrimidin-2-ylbenzylamine,n-methyl-1-4-pyrimidin-2-yl phenyl methanamine,methyl 4-pyrimidin-2-yl phenyl methyl amine,n-methyl-4-pyrimidin-2-yl benzylamine,benzenemethanamine,n-methyl-4-2-pyrimidinyl,methyl 4-pyrimidin-2-ylphenyl methyl amine,benzenemethanamine, n-methyl-4-2-pyrimidinyl-9ci
IUPAC Name N-methyl-1-(4-pyrimidin-2-ylphenyl)methanamine
InChI Key DIWVUAYHEYROLA-UHFFFAOYSA-N
Molecular Formula C12H13N3
1,595

p-Toluenesulfonyl fluoride, 98%

CAS: 455-16-3 Molecular Formula: C7H7FO2S Molecular Weight (g/mol): 174.189 MDL Number: MFCD00007421 InChI Key: IZZYABADQVQHLC-UHFFFAOYSA-N Synonym: p-toluenesulfonyl fluoride,tosyl fluoride,4-toluenesulfonyl fluoride,benzenesulfonyl fluoride, 4-methyl,4-tolylsulfonyl fluoride,toluene-4-sulfonyl fluoride,p-methylbenzenesulfonyl fluoride,p-toluenesulphonyl fluoride,toluene-p-sulphonyl fluoride,p-methylphenylsulfonyl fluoride PubChem CID: 9965 IUPAC Name: 4-methylbenzenesulfonyl fluoride SMILES: CC1=CC=C(C=C1)S(=O)(=O)F

PubChem CID 9965
CAS 455-16-3
Molecular Weight (g/mol) 174.189
MDL Number MFCD00007421
SMILES CC1=CC=C(C=C1)S(=O)(=O)F
Synonym p-toluenesulfonyl fluoride,tosyl fluoride,4-toluenesulfonyl fluoride,benzenesulfonyl fluoride, 4-methyl,4-tolylsulfonyl fluoride,toluene-4-sulfonyl fluoride,p-methylbenzenesulfonyl fluoride,p-toluenesulphonyl fluoride,toluene-p-sulphonyl fluoride,p-methylphenylsulfonyl fluoride
IUPAC Name 4-methylbenzenesulfonyl fluoride
InChI Key IZZYABADQVQHLC-UHFFFAOYSA-N
Molecular Formula C7H7FO2S
1,596

4-n-Butoxyaniline, 97%

CAS: 4344-55-2 Molecular Formula: C10H15NO Molecular Weight (g/mol): 165.236 MDL Number: MFCD00007866 InChI Key: UBRIHZOFEJHMIT-UHFFFAOYSA-N Synonym: p-butoxyaniline,benzenamine, 4-butoxy,p-butyloxyaniline,4-n-butoxyaniline,aniline, p-butoxy,p-aminophenol n-butyl ether,4-butyloxybenzenamine,aminophenyl-n-butyl ether,4-butyloxyaniline,4-butyloxy aniline PubChem CID: 20352 IUPAC Name: 4-butoxyaniline SMILES: CCCCOC1=CC=C(C=C1)N

PubChem CID 20352
CAS 4344-55-2
Molecular Weight (g/mol) 165.236
MDL Number MFCD00007866
SMILES CCCCOC1=CC=C(C=C1)N
Synonym p-butoxyaniline,benzenamine, 4-butoxy,p-butyloxyaniline,4-n-butoxyaniline,aniline, p-butoxy,p-aminophenol n-butyl ether,4-butyloxybenzenamine,aminophenyl-n-butyl ether,4-butyloxyaniline,4-butyloxy aniline
IUPAC Name 4-butoxyaniline
InChI Key UBRIHZOFEJHMIT-UHFFFAOYSA-N
Molecular Formula C10H15NO
1,597

4-Fluoro-2-(trifluoromethyl)benzonitrile, 98+%

CAS: 194853-86-6 Molecular Formula: C8H3F4N Molecular Weight (g/mol): 189.11 MDL Number: MFCD00061283 InChI Key: LCCPQUYXMFXCAC-UHFFFAOYSA-N Synonym: 4-fluoro-2-trifluoromethyl benzonitrile,2-trifluoromethyl-4-fluorobenzonitrile,4-fluoro-2-trifluoromethyl-benzonitrile,2-cyano-5-fluorobenzotrifluoride,alpha,alpha,alpha,4-tetrafluoro-o-tolunitrile,benzonitrile, 4-fluoro-2-trifluoromethyl,4-fluoro-2-trifluoromethyl benzenecarbonitrile,pubchem4802 PubChem CID: 605085 IUPAC Name: 4-fluoro-2-(trifluoromethyl)benzonitrile SMILES: FC1=CC=C(C#N)C(=C1)C(F)(F)F

PubChem CID 605085
CAS 194853-86-6
Molecular Weight (g/mol) 189.11
MDL Number MFCD00061283
SMILES FC1=CC=C(C#N)C(=C1)C(F)(F)F
Synonym 4-fluoro-2-trifluoromethyl benzonitrile,2-trifluoromethyl-4-fluorobenzonitrile,4-fluoro-2-trifluoromethyl-benzonitrile,2-cyano-5-fluorobenzotrifluoride,alpha,alpha,alpha,4-tetrafluoro-o-tolunitrile,benzonitrile, 4-fluoro-2-trifluoromethyl,4-fluoro-2-trifluoromethyl benzenecarbonitrile,pubchem4802
IUPAC Name 4-fluoro-2-(trifluoromethyl)benzonitrile
InChI Key LCCPQUYXMFXCAC-UHFFFAOYSA-N
Molecular Formula C8H3F4N
1,598

2-Isopropylphenyl isothiocyanate, ≥95%, Thermo Scientific™

CAS: 36176-31-5 Molecular Formula: C10H11NS Molecular Weight (g/mol): 177.265 MDL Number: MFCD00022053 InChI Key: QQOOMDSEMQHMIR-UHFFFAOYSA-N Synonym: 2-isopropylphenyl isothiocyanate,1-isopropyl-2-isothiocyanatobenzene,1-isothiocyanato-2-propan-2-yl benzene,benzene, 1-isothiocyanato-2-1-methylethyl,2-methylethyl benzenisothiocyanate,2-isopropylphenylisothiocyanate,acmc-20ansf,2-isopropylphenyl-isothiocyanate,2-iso-propylphenyl isothiocyanate PubChem CID: 142052 IUPAC Name: 1-isothiocyanato-2-propan-2-ylbenzene SMILES: CC(C)C1=CC=CC=C1N=C=S

PubChem CID 142052
CAS 36176-31-5
Molecular Weight (g/mol) 177.265
MDL Number MFCD00022053
SMILES CC(C)C1=CC=CC=C1N=C=S
Synonym 2-isopropylphenyl isothiocyanate,1-isopropyl-2-isothiocyanatobenzene,1-isothiocyanato-2-propan-2-yl benzene,benzene, 1-isothiocyanato-2-1-methylethyl,2-methylethyl benzenisothiocyanate,2-isopropylphenylisothiocyanate,acmc-20ansf,2-isopropylphenyl-isothiocyanate,2-iso-propylphenyl isothiocyanate
IUPAC Name 1-isothiocyanato-2-propan-2-ylbenzene
InChI Key QQOOMDSEMQHMIR-UHFFFAOYSA-N
Molecular Formula C10H11NS
1,599

Potassium trans-beta-styryltrifluoroborate, 98%

CAS: 201852-49-5 Molecular Formula: C8H7BF3K Molecular Weight (g/mol): 210.05 MDL Number: MFCD02093981 InChI Key: NONAUTDEFRJJII-UHFFFAOYSA-N Synonym: potassium trans-styryltrifluoroborate,potassium beta-styryltrifluoroborate,beta-styryltrifluoroboric acid potassium salt,pubchem11312,potassiostyryltrifluoroboron v,potassium-styryltrifluoroborate,potassium a-styryltrifluoroborate,potassium b-styryltrifluoroborate,potassium e-styryltrifluoroborate,potassium 2-phenylethenyltrifluoroborate PubChem CID: 23664278 IUPAC Name: potassium;trifluoro-[(E)-2-phenylethenyl]boranuide SMILES: [K+].F[B-](F)(F)C=CC1=CC=CC=C1

PubChem CID 23664278
CAS 201852-49-5
Molecular Weight (g/mol) 210.05
MDL Number MFCD02093981
SMILES [K+].F[B-](F)(F)C=CC1=CC=CC=C1
Synonym potassium trans-styryltrifluoroborate,potassium beta-styryltrifluoroborate,beta-styryltrifluoroboric acid potassium salt,pubchem11312,potassiostyryltrifluoroboron v,potassium-styryltrifluoroborate,potassium a-styryltrifluoroborate,potassium b-styryltrifluoroborate,potassium e-styryltrifluoroborate,potassium 2-phenylethenyltrifluoroborate
IUPAC Name potassium;trifluoro-[(E)-2-phenylethenyl]boranuide
InChI Key NONAUTDEFRJJII-UHFFFAOYSA-N
Molecular Formula C8H7BF3K
1,600

Benzyltri-n-propylammonium chloride, 96%

CAS: 5197-87-5 Molecular Formula: C16H28ClN Molecular Weight (g/mol): 269.86 MDL Number: MFCD00051869 InChI Key: YTRIOKYQEVFKGU-UHFFFAOYSA-M Synonym: benzyltripropylammonium chloride,n-benzyl-n,n-dipropylpropan-1-aminium chloride,benzyl tripropyl ammonium chloride,benzyltri-n-propylammonium chloride,benzyltripropylazanium chloride,benzyl tripropyl azanium chloride,acmc-20alov,c16h28n.cl,benzyl-tri-n-propylammonium chloride PubChem CID: 6097067 IUPAC Name: benzyltripropylazanium chloride SMILES: [Cl-].CCC[N+](CCC)(CCC)CC1=CC=CC=C1

PubChem CID 6097067
CAS 5197-87-5
Molecular Weight (g/mol) 269.86
MDL Number MFCD00051869
SMILES [Cl-].CCC[N+](CCC)(CCC)CC1=CC=CC=C1
Synonym benzyltripropylammonium chloride,n-benzyl-n,n-dipropylpropan-1-aminium chloride,benzyl tripropyl ammonium chloride,benzyltri-n-propylammonium chloride,benzyltripropylazanium chloride,benzyl tripropyl azanium chloride,acmc-20alov,c16h28n.cl,benzyl-tri-n-propylammonium chloride
IUPAC Name benzyltripropylazanium chloride
InChI Key YTRIOKYQEVFKGU-UHFFFAOYSA-M
Molecular Formula C16H28ClN
1,601

2-(Difluoromethoxy)benzylamine, 97%, Thermo Scientific Chemicals

CAS: 243863-36-7 Molecular Formula: C8H9F2NO Molecular Weight (g/mol): 173.163 MDL Number: MFCD00236229 InChI Key: GGXXUJUQXAOYPK-UHFFFAOYSA-N Synonym: 2-difluoromethoxy benzylamine,2-difluoromethoxy phenyl methanamine,1-2-difluoromethoxy phenyl methanamine,benzenemethanamine, 2-difluoromethoxy,2-difluoromethoxy phenyl methylamine,acmc-20a5tk,2-difluoromethoxy-benzylamine,2-difluoromethoxy benzyl amine PubChem CID: 1514062 IUPAC Name: [2-(difluoromethoxy)phenyl]methanamine SMILES: C1=CC=C(C(=C1)CN)OC(F)F

PubChem CID 1514062
CAS 243863-36-7
Molecular Weight (g/mol) 173.163
MDL Number MFCD00236229
SMILES C1=CC=C(C(=C1)CN)OC(F)F
Synonym 2-difluoromethoxy benzylamine,2-difluoromethoxy phenyl methanamine,1-2-difluoromethoxy phenyl methanamine,benzenemethanamine, 2-difluoromethoxy,2-difluoromethoxy phenyl methylamine,acmc-20a5tk,2-difluoromethoxy-benzylamine,2-difluoromethoxy benzyl amine
IUPAC Name [2-(difluoromethoxy)phenyl]methanamine
InChI Key GGXXUJUQXAOYPK-UHFFFAOYSA-N
Molecular Formula C8H9F2NO
1,602

2,3,4-Trifluorobenzaldehyde, 98%, Thermo Scientific™

CAS: 161793-17-5 Molecular Formula: C7H3F3O Molecular Weight (g/mol): 160.09 MDL Number: MFCD00061230 InChI Key: UQEDGFZRPSAHLC-UHFFFAOYSA-N Synonym: 2,3,4-trifluorobenz-aldehyde,benzaldehyde, 2,3,4-trifluoro,2,3,4-trifluoro benzaldehyde,pubchem4255,intermediates-zcf02215,acmc-209dn7,2,3,4-trilfuorobenzaldehyde,ksc182o7d,2,3,4-trifluoro-benzaldehyde,timtec-bb sbb003969 PubChem CID: 519226 IUPAC Name: 2,3,4-trifluorobenzaldehyde SMILES: C1=CC(=C(C(=C1C=O)F)F)F

PubChem CID 519226
CAS 161793-17-5
Molecular Weight (g/mol) 160.09
MDL Number MFCD00061230
SMILES C1=CC(=C(C(=C1C=O)F)F)F
Synonym 2,3,4-trifluorobenz-aldehyde,benzaldehyde, 2,3,4-trifluoro,2,3,4-trifluoro benzaldehyde,pubchem4255,intermediates-zcf02215,acmc-209dn7,2,3,4-trilfuorobenzaldehyde,ksc182o7d,2,3,4-trifluoro-benzaldehyde,timtec-bb sbb003969
IUPAC Name 2,3,4-trifluorobenzaldehyde
InChI Key UQEDGFZRPSAHLC-UHFFFAOYSA-N
Molecular Formula C7H3F3O
1,603

1-Benzyloxy-4-bromobenzene, 97%

CAS: 6793-92-6 Molecular Formula: C13H11BrO Molecular Weight (g/mol): 263.134 MDL Number: MFCD00028016 InChI Key: OUQSGILAXUXMGI-UHFFFAOYSA-N Synonym: 4-benzyloxybromobenzene,1-benzyloxy-4-bromobenzene,1-bromo-4-phenylmethoxy benzene,1-bromo-4-benzyloxybenzene,4-benzyloxy bromobenzene,1-benzyloxy-4-bromo-benzene,1-bromo-4-phenylmethyl oxy benzene,4-benzyloxy-bromobenzene,p-benzyloxy bromobenzene PubChem CID: 138835 IUPAC Name: 1-bromo-4-phenylmethoxybenzene SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)Br

PubChem CID 138835
CAS 6793-92-6
Molecular Weight (g/mol) 263.134
MDL Number MFCD00028016
SMILES C1=CC=C(C=C1)COC2=CC=C(C=C2)Br
Synonym 4-benzyloxybromobenzene,1-benzyloxy-4-bromobenzene,1-bromo-4-phenylmethoxy benzene,1-bromo-4-benzyloxybenzene,4-benzyloxy bromobenzene,1-benzyloxy-4-bromo-benzene,1-bromo-4-phenylmethyl oxy benzene,4-benzyloxy-bromobenzene,p-benzyloxy bromobenzene
IUPAC Name 1-bromo-4-phenylmethoxybenzene
InChI Key OUQSGILAXUXMGI-UHFFFAOYSA-N
Molecular Formula C13H11BrO
1,604

1-Iodo-4-n-propylbenzene, 97%

CAS: 126261-84-5 Molecular Formula: C9H11I Molecular Weight (g/mol): 246.09 MDL Number: MFCD00051612 InChI Key: ZRWCHMFGMKNWEC-UHFFFAOYSA-N Synonym: 1-iodo-4-n-propylbenzene,1-iodo-4-propyl-benzene,4-iodopropylbenzene,4-propyliodobenzene,p-n-propyliodobenzene,4-iodo-n-propylbenzene,4-n-propyl iodobenzene,#,benzene,1-iodo-4-propyl,1-iodanyl-4-propyl-benzene PubChem CID: 612541 IUPAC Name: 1-iodo-4-propylbenzene SMILES: CCCC1=CC=C(I)C=C1

PubChem CID 612541
CAS 126261-84-5
Molecular Weight (g/mol) 246.09
MDL Number MFCD00051612
SMILES CCCC1=CC=C(I)C=C1
Synonym 1-iodo-4-n-propylbenzene,1-iodo-4-propyl-benzene,4-iodopropylbenzene,4-propyliodobenzene,p-n-propyliodobenzene,4-iodo-n-propylbenzene,4-n-propyl iodobenzene,#,benzene,1-iodo-4-propyl,1-iodanyl-4-propyl-benzene
IUPAC Name 1-iodo-4-propylbenzene
InChI Key ZRWCHMFGMKNWEC-UHFFFAOYSA-N
Molecular Formula C9H11I
1,605

Biphenyl-4,4'-dicarbonitrile, 98%

CAS: 1591-30-6 Molecular Formula: C14H8N2 Molecular Weight (g/mol): 204.232 MDL Number: MFCD00013805 InChI Key: KAXYYLCSSXFXKR-UHFFFAOYSA-N Synonym: 4,4'-biphenyldicarbonitrile,1,1'-biphenyl-4,4'-dicarbonitrile,4,4'-dicyanobiphenyl,biphenyl-4,4'-dicarbonitrile,4,4'-dicyanodiphenyl,4,4'-diphenyldicarbonitrile,4-4-cyanophenyl benzonitrile,4-4-cyanophenyl benzenecarbonitrile PubChem CID: 15321 IUPAC Name: 4-(4-cyanophenyl)benzonitrile SMILES: C1=CC(=CC=C1C#N)C2=CC=C(C=C2)C#N

PubChem CID 15321
CAS 1591-30-6
Molecular Weight (g/mol) 204.232
MDL Number MFCD00013805
SMILES C1=CC(=CC=C1C#N)C2=CC=C(C=C2)C#N
Synonym 4,4'-biphenyldicarbonitrile,1,1'-biphenyl-4,4'-dicarbonitrile,4,4'-dicyanobiphenyl,biphenyl-4,4'-dicarbonitrile,4,4'-dicyanodiphenyl,4,4'-diphenyldicarbonitrile,4-4-cyanophenyl benzonitrile,4-4-cyanophenyl benzenecarbonitrile
IUPAC Name 4-(4-cyanophenyl)benzonitrile
InChI Key KAXYYLCSSXFXKR-UHFFFAOYSA-N
Molecular Formula C14H8N2