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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.
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3,946 – 3,960 of 119,712 results
3,946
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3,5-Dinitrobenzyl alcohol, 98%

CAS: 71022-43-0 Molecular Formula: C7H6N2O5 Molecular Weight (g/mol): 198.13 MDL Number: MFCD00007235 InChI Key: GPHYIQCSMDYRGJ-UHFFFAOYSA-N Synonym: 3,5-dinitrobenzyl alcohol,3,5-dinitrophenyl methanol,benzenemethanol, 3,5-dinitro,3,5-dinitrobenzenemethanol,unii-111z6y5ynw,3,5-dinitrobenzylalcohol,pubchem20861,acmc-1bdpg,ksc494c8n,3,5-dinitrophenyl methanol # PubChem CID: 116978 IUPAC Name: (3,5-dinitrophenyl)methanol SMILES: OCC1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O

PubChem CID 116978
CAS 71022-43-0
Molecular Weight (g/mol) 198.13
MDL Number MFCD00007235
SMILES OCC1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O
Synonym 3,5-dinitrobenzyl alcohol,3,5-dinitrophenyl methanol,benzenemethanol, 3,5-dinitro,3,5-dinitrobenzenemethanol,unii-111z6y5ynw,3,5-dinitrobenzylalcohol,pubchem20861,acmc-1bdpg,ksc494c8n,3,5-dinitrophenyl methanol #
IUPAC Name (3,5-dinitrophenyl)methanol
InChI Key GPHYIQCSMDYRGJ-UHFFFAOYSA-N
Molecular Formula C7H6N2O5
3,947
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3-Fluorobenzyl chloride, 97%

CAS: 456-42-8 Molecular Formula: C7H6ClF Molecular Weight (g/mol): 144.573 MDL Number: MFCD00000904 InChI Key: XBDXMDVEZLOGMC-UHFFFAOYSA-N Synonym: 3-fluorobenzyl chloride,1-chloromethyl-3-fluorobenzene,m-fluorobenzyl chloride,benzene, 1-chloromethyl-3-fluoro,3-fluorobenzylchloride,alpha-chloro-3-fluorotoluene,alpha-chloro-m-fluorotoluene,fluorobenzyl-3 chloride,toluene, .alpha.-chloro-m-fluoro,.alpha.-chloro-m-fluorotoluene PubChem CID: 9974 IUPAC Name: 1-(chloromethyl)-3-fluorobenzene SMILES: C1=CC(=CC(=C1)F)CCl

PubChem CID 9974
CAS 456-42-8
Molecular Weight (g/mol) 144.573
MDL Number MFCD00000904
SMILES C1=CC(=CC(=C1)F)CCl
Synonym 3-fluorobenzyl chloride,1-chloromethyl-3-fluorobenzene,m-fluorobenzyl chloride,benzene, 1-chloromethyl-3-fluoro,3-fluorobenzylchloride,alpha-chloro-3-fluorotoluene,alpha-chloro-m-fluorotoluene,fluorobenzyl-3 chloride,toluene, .alpha.-chloro-m-fluoro,.alpha.-chloro-m-fluorotoluene
IUPAC Name 1-(chloromethyl)-3-fluorobenzene
InChI Key XBDXMDVEZLOGMC-UHFFFAOYSA-N
Molecular Formula C7H6ClF
3,948

LiChropur™ (S)-(+)-α-Methoxy-α-(trifluoromethyl)phenylacetyl chloride, 99.0%, MilliporeSigma™ Supelco™

CAS: 20445-33-4 Molecular Formula: C10H8ClF3O2 Molecular Weight (g/mol): 252.62 MDL Number: MFCD00067105 InChI Key: PAORVUMOXXAMPL-SECBINFHSA-N Synonym: (S)-(+)-MTPA-Cl; Mosher's acid chloride IUPAC Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride SMILES: CO[C@@](C(Cl)=O)(C1=CC=CC=C1)C(F)(F)F

CAS 20445-33-4
Molecular Weight (g/mol) 252.62
MDL Number MFCD00067105
SMILES CO[C@@](C(Cl)=O)(C1=CC=CC=C1)C(F)(F)F
Synonym (S)-(+)-MTPA-Cl; Mosher's acid chloride
IUPAC Name (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride
InChI Key PAORVUMOXXAMPL-SECBINFHSA-N
Molecular Formula C10H8ClF3O2
3,949
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Doxylamine Succinate, USP, 98-101%, Spectrum™ Chemical

CAS: 562-10-7 Molecular Formula: C21H28N2O5 Molecular Weight (g/mol): 388.46 MDL Number: MFCD00056168 InChI Key: KBAUFVUYFNWQFM-UHFFFAOYNA-N IUPAC Name: butanedioic acid; dimethyl({2-[1-phenyl-1-(pyridin-2-yl)ethoxy]ethyl})amine SMILES: OC(=O)CCC(O)=O.CN(C)CCOC(C)(C1=CC=CC=C1)C1=CC=CC=N1

CAS 562-10-7
Molecular Weight (g/mol) 388.46
MDL Number MFCD00056168
SMILES OC(=O)CCC(O)=O.CN(C)CCOC(C)(C1=CC=CC=C1)C1=CC=CC=N1
IUPAC Name butanedioic acid; dimethyl({2-[1-phenyl-1-(pyridin-2-yl)ethoxy]ethyl})amine
InChI Key KBAUFVUYFNWQFM-UHFFFAOYNA-N
Molecular Formula C21H28N2O5
3,950
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Thermo Scientific Chemicals Salbutamol hemisulfate, 98%

CAS: 51022-70-9 Molecular Formula: C13H21NO3·1/2H2SO4 Molecular Weight (g/mol): 288.35 InChI Key: OVICLFZZVQVVFT-UHFFFAOYSA-N Synonym: salbutamol sulfate,albuterol sulfate,ventolin,ventorlin,4-2-tert-butylamino-1-hydroxyethyl-2-hydroxymethyl phenol sulfate,asthavent,albuterol sulfate 1:x,salbutamol; sulfuric acid,asmaven sulfate,2-tert-butylamino-1-4-hydroxy-3-hydroxymethylphenyl ethanol hemisulfate PubChem CID: 9884233 IUPAC Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;sulfuric acid SMILES: CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.OS(=O)(=O)O

PubChem CID 9884233
CAS 51022-70-9
Molecular Weight (g/mol) 288.35
SMILES CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.OS(=O)(=O)O
Synonym salbutamol sulfate,albuterol sulfate,ventolin,ventorlin,4-2-tert-butylamino-1-hydroxyethyl-2-hydroxymethyl phenol sulfate,asthavent,albuterol sulfate 1:x,salbutamol; sulfuric acid,asmaven sulfate,2-tert-butylamino-1-4-hydroxy-3-hydroxymethylphenyl ethanol hemisulfate
IUPAC Name 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;sulfuric acid
InChI Key OVICLFZZVQVVFT-UHFFFAOYSA-N
Molecular Formula C13H21NO3·1/2H2SO4
3,951
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Terephthaldehyde monodiethylacetal, 97%, stabilized

CAS: 81172-89-6 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.26 MDL Number: MFCD00010217 InChI Key: HTMXMFARWHNJDW-UHFFFAOYSA-N Synonym: 4-diethoxymethyl benzaldehyde,terephthalaldehyde mono diethyl acetal,benzaldehyde, 4-diethoxymethyl,terephthaldehyde mono diethyl acetal,terephthalaldehyde mono-diethyl acetal,pubchem22621,acmc-209tbs,4-diethoxymethyl-benzaldehyde,4-diethoxymethy benzaldehyde,4-diethyoxymethyl benzaldehyde PubChem CID: 595993 IUPAC Name: 4-(diethoxymethyl)benzaldehyde SMILES: CCOC(OCC)C1=CC=C(C=O)C=C1

PubChem CID 595993
CAS 81172-89-6
Molecular Weight (g/mol) 208.26
MDL Number MFCD00010217
SMILES CCOC(OCC)C1=CC=C(C=O)C=C1
Synonym 4-diethoxymethyl benzaldehyde,terephthalaldehyde mono diethyl acetal,benzaldehyde, 4-diethoxymethyl,terephthaldehyde mono diethyl acetal,terephthalaldehyde mono-diethyl acetal,pubchem22621,acmc-209tbs,4-diethoxymethyl-benzaldehyde,4-diethoxymethy benzaldehyde,4-diethyoxymethyl benzaldehyde
IUPAC Name 4-(diethoxymethyl)benzaldehyde
InChI Key HTMXMFARWHNJDW-UHFFFAOYSA-N
Molecular Formula C12H16O3
3,952
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2,4-Bis(chloromethyl)mesitylene, 98%

CAS: 1585-17-7 Molecular Formula: C11H14Cl2 Molecular Weight (g/mol): 217.13 MDL Number: MFCD00013681 InChI Key: JMNDJDCLOQRCJV-UHFFFAOYSA-N Synonym: 2,4-bis chloromethyl-1,3,5-trimethylbenzene,2,4-bis chloromethyl mesitylene,benzene, 2,4-bis chloromethyl-1,3,5-trimethyl,2,4-di chloromethyl-1,3,5-trimethylbenzene,2,4-bis chloromethylmesitylene,acmc-209dhz,bis-chloromethyl mesitylene,bis-chloromethyl-mesitylene,jmndjdcloqrcjv-uhfffaoysa,2,4-bis-chloromethyl mesitylene PubChem CID: 137095 IUPAC Name: 2,4-bis(chloromethyl)-1,3,5-trimethylbenzene SMILES: CC1=CC(C)=C(CCl)C(C)=C1CCl

PubChem CID 137095
CAS 1585-17-7
Molecular Weight (g/mol) 217.13
MDL Number MFCD00013681
SMILES CC1=CC(C)=C(CCl)C(C)=C1CCl
Synonym 2,4-bis chloromethyl-1,3,5-trimethylbenzene,2,4-bis chloromethyl mesitylene,benzene, 2,4-bis chloromethyl-1,3,5-trimethyl,2,4-di chloromethyl-1,3,5-trimethylbenzene,2,4-bis chloromethylmesitylene,acmc-209dhz,bis-chloromethyl mesitylene,bis-chloromethyl-mesitylene,jmndjdcloqrcjv-uhfffaoysa,2,4-bis-chloromethyl mesitylene
IUPAC Name 2,4-bis(chloromethyl)-1,3,5-trimethylbenzene
InChI Key JMNDJDCLOQRCJV-UHFFFAOYSA-N
Molecular Formula C11H14Cl2
3,953
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3-Nitrobenzyl chloride, 98%

CAS: 619-23-8 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007272 InChI Key: APGGSERFJKEWFG-UHFFFAOYSA-N Synonym: 3-nitrobenzyl chloride,1-chloromethyl-3-nitrobenzene,m-nitrobenzyl chloride,alpha-chloro-3-nitrotoluene,benzene, 1-chloromethyl-3-nitro,toluene, alpha-chloro-m-nitro,.alpha.-chloro-m-nitrotoluene,unii-ojl133898o,3-nitrobenzylchloride,ccris 2324 PubChem CID: 12078 IUPAC Name: 1-(chloromethyl)-3-nitrobenzene SMILES: [O-][N+](=O)C1=CC=CC(CCl)=C1

PubChem CID 12078
CAS 619-23-8
Molecular Weight (g/mol) 171.58
MDL Number MFCD00007272
SMILES [O-][N+](=O)C1=CC=CC(CCl)=C1
Synonym 3-nitrobenzyl chloride,1-chloromethyl-3-nitrobenzene,m-nitrobenzyl chloride,alpha-chloro-3-nitrotoluene,benzene, 1-chloromethyl-3-nitro,toluene, alpha-chloro-m-nitro,.alpha.-chloro-m-nitrotoluene,unii-ojl133898o,3-nitrobenzylchloride,ccris 2324
IUPAC Name 1-(chloromethyl)-3-nitrobenzene
InChI Key APGGSERFJKEWFG-UHFFFAOYSA-N
Molecular Formula C7H6ClNO2
3,954
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Benzyloxyacetic Acid, 95%

CAS: 30379-55-6 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00274211 InChI Key: GRZHHTYDZVRPIC-UHFFFAOYSA-N Synonym: benzyloxyacetic acid,2-benzyloxy acetic acid,benzyloxy acetic acid,acetic acid, phenylmethoxy,phenylmethoxyaceticacid,2-phenylmethoxy acetic acid,benzyloxy-acetic acid,2-benzyloxyacetic acid,acetic acid, 2-phenylmethoxy PubChem CID: 290301 IUPAC Name: 2-phenylmethoxyacetic acid SMILES: OC(=O)COCC1=CC=CC=C1

PubChem CID 290301
CAS 30379-55-6
Molecular Weight (g/mol) 166.18
MDL Number MFCD00274211
SMILES OC(=O)COCC1=CC=CC=C1
Synonym benzyloxyacetic acid,2-benzyloxy acetic acid,benzyloxy acetic acid,acetic acid, phenylmethoxy,phenylmethoxyaceticacid,2-phenylmethoxy acetic acid,benzyloxy-acetic acid,2-benzyloxyacetic acid,acetic acid, 2-phenylmethoxy
IUPAC Name 2-phenylmethoxyacetic acid
InChI Key GRZHHTYDZVRPIC-UHFFFAOYSA-N
Molecular Formula C9H10O3
3,955

(3-Thien-3-ylphenyl)methanol, ≥97%, Thermo Scientific™

CAS: 89929-82-8 Molecular Formula: C11H10OS Molecular Weight (g/mol): 190.26 MDL Number: MFCD06203083 InChI Key: VSWBZMMHNMDWJL-UHFFFAOYSA-N Synonym: 3-thien-3-ylphenyl methanol,3-thiophen-3-yl phenyl methanol,3-3-thienyl phenyl methanol,3-thiophen-3-ylphenyl methanol,acmc-20ls08,3-3-thienyl phenylmethanol,3-3-thiophenyl phenyl methanol,3-3-thienyl phenyl methan-1-ol PubChem CID: 7164662 IUPAC Name: (3-thiophen-3-ylphenyl)methanol SMILES: C1=CC(=CC(=C1)CO)C2=CSC=C2

PubChem CID 7164662
CAS 89929-82-8
Molecular Weight (g/mol) 190.26
MDL Number MFCD06203083
SMILES C1=CC(=CC(=C1)CO)C2=CSC=C2
Synonym 3-thien-3-ylphenyl methanol,3-thiophen-3-yl phenyl methanol,3-3-thienyl phenyl methanol,3-thiophen-3-ylphenyl methanol,acmc-20ls08,3-3-thienyl phenylmethanol,3-3-thiophenyl phenyl methanol,3-3-thienyl phenyl methan-1-ol
IUPAC Name (3-thiophen-3-ylphenyl)methanol
InChI Key VSWBZMMHNMDWJL-UHFFFAOYSA-N
Molecular Formula C11H10OS
3,956

[4-(Phenoxymethyl)phenyl]methanol, 97%, Thermo Scientific™

CAS: 262862-97-5 Molecular Formula: C14H14O2 Molecular Weight (g/mol): 214.264 MDL Number: MFCD09879941 InChI Key: MTQHORUPINPVTP-UHFFFAOYSA-N Synonym: 4-phenoxymethyl phenyl methanol,4-phenoxymethylphenylmethanol,4-phenoxymethylbenzyl alcohol,4-phenoxymethylphenyl-methanol,4-phenoxymethyl phenyl methan-1-ol PubChem CID: 11333367 IUPAC Name: [4-(phenoxymethyl)phenyl]methanol SMILES: C1=CC=C(C=C1)OCC2=CC=C(C=C2)CO

PubChem CID 11333367
CAS 262862-97-5
Molecular Weight (g/mol) 214.264
MDL Number MFCD09879941
SMILES C1=CC=C(C=C1)OCC2=CC=C(C=C2)CO
Synonym 4-phenoxymethyl phenyl methanol,4-phenoxymethylphenylmethanol,4-phenoxymethylbenzyl alcohol,4-phenoxymethylphenyl-methanol,4-phenoxymethyl phenyl methan-1-ol
IUPAC Name [4-(phenoxymethyl)phenyl]methanol
InChI Key MTQHORUPINPVTP-UHFFFAOYSA-N
Molecular Formula C14H14O2
3,957
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Benzyl propargyl ether, 97%

CAS: 4039-82-1 Molecular Formula: C10H10O Molecular Weight (g/mol): 146.19 MDL Number: MFCD00483987 InChI Key: PAQVEXAFKDWGOT-UHFFFAOYSA-N Synonym: benzyl propargyl ether,benzylpropargyl ether,1-benzyloxy-2-propyne,prop-2-yn-1-yloxy methyl benzene,benzene, 2-propynyloxy methyl,prop-2-ynyloxy methyl benzene,propargylbenzyl ether,benzyloxy prop-2-yne PubChem CID: 6917484 IUPAC Name: prop-2-ynoxymethylbenzene SMILES: C#CCOCC1=CC=CC=C1

PubChem CID 6917484
CAS 4039-82-1
Molecular Weight (g/mol) 146.19
MDL Number MFCD00483987
SMILES C#CCOCC1=CC=CC=C1
Synonym benzyl propargyl ether,benzylpropargyl ether,1-benzyloxy-2-propyne,prop-2-yn-1-yloxy methyl benzene,benzene, 2-propynyloxy methyl,prop-2-ynyloxy methyl benzene,propargylbenzyl ether,benzyloxy prop-2-yne
IUPAC Name prop-2-ynoxymethylbenzene
InChI Key PAQVEXAFKDWGOT-UHFFFAOYSA-N
Molecular Formula C10H10O
3,958
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3-Nitrobenzyl bromide, 98+%

CAS: 3958-57-4 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.034 MDL Number: MFCD00007271 InChI Key: LNWXALCHPJANMJ-UHFFFAOYSA-N Synonym: 3-nitrobenzyl bromide,1-bromomethyl-3-nitrobenzene,m-nitrobenzyl bromide,benzene, 1-bromomethyl-3-nitro,alpha-bromo-3-nitrotoluene,m-bromomethyl nitrobenzene,alpha-bromo-m-nitrotoluene,m-nitro-alpha-bromotoluene,3-nitrobenzylbromide,toluene, alpha-bromo-m-nitro PubChem CID: 77568 IUPAC Name: 1-(bromomethyl)-3-nitrobenzene SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CBr

PubChem CID 77568
CAS 3958-57-4
Molecular Weight (g/mol) 216.034
MDL Number MFCD00007271
SMILES C1=CC(=CC(=C1)[N+](=O)[O-])CBr
Synonym 3-nitrobenzyl bromide,1-bromomethyl-3-nitrobenzene,m-nitrobenzyl bromide,benzene, 1-bromomethyl-3-nitro,alpha-bromo-3-nitrotoluene,m-bromomethyl nitrobenzene,alpha-bromo-m-nitrotoluene,m-nitro-alpha-bromotoluene,3-nitrobenzylbromide,toluene, alpha-bromo-m-nitro
IUPAC Name 1-(bromomethyl)-3-nitrobenzene
InChI Key LNWXALCHPJANMJ-UHFFFAOYSA-N
Molecular Formula C7H6BrNO2
3,959
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Terephthalaldehyde mono(diethyl acetal), 97%, stab.

CAS: 81172-89-6 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.26 MDL Number: MFCD00010217 InChI Key: HTMXMFARWHNJDW-UHFFFAOYSA-N Synonym: 4-diethoxymethyl benzaldehyde,terephthalaldehyde mono diethyl acetal,benzaldehyde, 4-diethoxymethyl,terephthaldehyde mono diethyl acetal,terephthalaldehyde mono-diethyl acetal,pubchem22621,acmc-209tbs,4-diethoxymethyl-benzaldehyde,4-diethoxymethy benzaldehyde,4-diethyoxymethyl benzaldehyde PubChem CID: 595993 IUPAC Name: 4-(diethoxymethyl)benzaldehyde SMILES: CCOC(OCC)C1=CC=C(C=O)C=C1

PubChem CID 595993
CAS 81172-89-6
Molecular Weight (g/mol) 208.26
MDL Number MFCD00010217
SMILES CCOC(OCC)C1=CC=C(C=O)C=C1
Synonym 4-diethoxymethyl benzaldehyde,terephthalaldehyde mono diethyl acetal,benzaldehyde, 4-diethoxymethyl,terephthaldehyde mono diethyl acetal,terephthalaldehyde mono-diethyl acetal,pubchem22621,acmc-209tbs,4-diethoxymethyl-benzaldehyde,4-diethoxymethy benzaldehyde,4-diethyoxymethyl benzaldehyde
IUPAC Name 4-(diethoxymethyl)benzaldehyde
InChI Key HTMXMFARWHNJDW-UHFFFAOYSA-N
Molecular Formula C12H16O3
3,960
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Benzyl methyl ether, 97%

CAS: 538-86-3 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.167 MDL Number: MFCD00025901 InChI Key: GQKZBCPTCWJTAS-UHFFFAOYSA-N Synonym: benzyl methyl ether,methoxymethyl benzene,methyl benzyl ether,benzene, methoxymethyl,ether, benzyl methyl,benzylmethylether,unii-f22rls78bd,.alpha.-methoxytoluene,f22rls78bd,methoxyphenylmethane PubChem CID: 10869 IUPAC Name: methoxymethylbenzene SMILES: COCC1=CC=CC=C1

PubChem CID 10869
CAS 538-86-3
Molecular Weight (g/mol) 122.167
MDL Number MFCD00025901
SMILES COCC1=CC=CC=C1
Synonym benzyl methyl ether,methoxymethyl benzene,methyl benzyl ether,benzene, methoxymethyl,ether, benzyl methyl,benzylmethylether,unii-f22rls78bd,.alpha.-methoxytoluene,f22rls78bd,methoxyphenylmethane
IUPAC Name methoxymethylbenzene
InChI Key GQKZBCPTCWJTAS-UHFFFAOYSA-N
Molecular Formula C8H10O