Benzenoids
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4-tert-Butylbenzoic Acid 99.0+%, TCI America™
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CAS: 98-73-7 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.23 MDL Number: MFCD00002563 InChI Key: KDVYCTOWXSLNNI-UHFFFAOYSA-N Synonym: 4-tert-butyl benzoic acid,tbba,p-tert-butylbenzoic acid,benzoic acid, 4-1,1-dimethylethyl,4-t-butylbenzoic acid,benzoic acid, p-tert-butyl,4-tert-butyl-benzoic acid,p-t-butylbenzoic acid,4-tert-butylbenzoicacid,unii-43z7t3vn0r PubChem CID: 7403 ChEBI: CHEBI:34443 IUPAC Name: 4-tert-butylbenzoic acid SMILES: CC(C)(C)C1=CC=C(C=C1)C(O)=O
| PubChem CID | 7403 |
|---|---|
| CAS | 98-73-7 |
| Molecular Weight (g/mol) | 178.23 |
| ChEBI | CHEBI:34443 |
| MDL Number | MFCD00002563 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(O)=O |
| Synonym | 4-tert-butyl benzoic acid,tbba,p-tert-butylbenzoic acid,benzoic acid, 4-1,1-dimethylethyl,4-t-butylbenzoic acid,benzoic acid, p-tert-butyl,4-tert-butyl-benzoic acid,p-t-butylbenzoic acid,4-tert-butylbenzoicacid,unii-43z7t3vn0r |
| IUPAC Name | 4-tert-butylbenzoic acid |
| InChI Key | KDVYCTOWXSLNNI-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |
N-(2-Chloroethyl)dibenzylamine Hydrochloride 98.0+%, TCI America™
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2-Bromo-9,9'-spirobi[9H-fluorene] 98.0+%, TCI America™
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CAS: 171408-76-7 Molecular Formula: C25H15Br Molecular Weight (g/mol): 395.30 MDL Number: MFCD08704217 InChI Key: ONCCVJKFWKAZAE-UHFFFAOYSA-N PubChem CID: 15287522 IUPAC Name: 7-bromo-9,9'-spirobi[fluorene] SMILES: BrC1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12
| PubChem CID | 15287522 |
|---|---|
| CAS | 171408-76-7 |
| Molecular Weight (g/mol) | 395.30 |
| MDL Number | MFCD08704217 |
| SMILES | BrC1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12 |
| IUPAC Name | 7-bromo-9,9'-spirobi[fluorene] |
| InChI Key | ONCCVJKFWKAZAE-UHFFFAOYSA-N |
| Molecular Formula | C25H15Br |
2,3-Difluorobenzyl Bromide 98.0+%, TCI America™
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CAS: 113211-94-2 Molecular Formula: C7H5BrF2 Molecular Weight (g/mol): 207.018 MDL Number: MFCD00042488 InChI Key: FTBSGSZZESQDBM-UHFFFAOYSA-N PubChem CID: 517984 IUPAC Name: 1-(bromomethyl)-2,3-difluorobenzene SMILES: C1=CC(=C(C(=C1)F)F)CBr
| PubChem CID | 517984 |
|---|---|
| CAS | 113211-94-2 |
| Molecular Weight (g/mol) | 207.018 |
| MDL Number | MFCD00042488 |
| SMILES | C1=CC(=C(C(=C1)F)F)CBr |
| IUPAC Name | 1-(bromomethyl)-2,3-difluorobenzene |
| InChI Key | FTBSGSZZESQDBM-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrF2 |
Benzenesulfonyl Hydrazide 98.0+%, TCI America™
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CAS: 80-17-1 Molecular Formula: C6H8N2O2S Molecular Weight (g/mol): 172.20 MDL Number: MFCD00007583,MFCD08064450 InChI Key: VJRITMATACIYAF-UHFFFAOYSA-N Synonym: benzenesulfonyl hydrazide,porofor,benzenesulfonic acid, hydrazide,porofor bsh,benzenesulfohydrazide,phenylsulfonylhydrazine,genitron bsh,celogen bsh,benzenesulfonylhydrazine,phenylsulfohydrazide PubChem CID: 65723 IUPAC Name: benzenesulfonohydrazide SMILES: NNS(=O)(=O)C1=CC=CC=C1
| PubChem CID | 65723 |
|---|---|
| CAS | 80-17-1 |
| Molecular Weight (g/mol) | 172.20 |
| MDL Number | MFCD00007583,MFCD08064450 |
| SMILES | NNS(=O)(=O)C1=CC=CC=C1 |
| Synonym | benzenesulfonyl hydrazide,porofor,benzenesulfonic acid, hydrazide,porofor bsh,benzenesulfohydrazide,phenylsulfonylhydrazine,genitron bsh,celogen bsh,benzenesulfonylhydrazine,phenylsulfohydrazide |
| IUPAC Name | benzenesulfonohydrazide |
| InChI Key | VJRITMATACIYAF-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O2S |
4-Butoxyphenylacetic Acid 98.0+%, TCI America™
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CAS: 4547-57-3 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.257 MDL Number: MFCD00016832 InChI Key: KLJMYYFCWBVKEE-UHFFFAOYSA-N Synonym: 4-butoxyphenylacetic acid,4-n-butoxyphenylacetic acid,benzeneacetic acid, 4-butoxy,2-4-butoxyphenyl acetic acid,acetic acid, p-butoxyphenyl,4-butoxyphenyl acetic acid,4-butoxybenzeneacetic acid,p-butoxyphenyl acetic acid,4-butoxy-phenyl-acetic acid,p-butoxyphenylacetic acid PubChem CID: 78304 IUPAC Name: 2-(4-butoxyphenyl)acetic acid SMILES: CCCCOC1=CC=C(C=C1)CC(=O)O
| PubChem CID | 78304 |
|---|---|
| CAS | 4547-57-3 |
| Molecular Weight (g/mol) | 208.257 |
| MDL Number | MFCD00016832 |
| SMILES | CCCCOC1=CC=C(C=C1)CC(=O)O |
| Synonym | 4-butoxyphenylacetic acid,4-n-butoxyphenylacetic acid,benzeneacetic acid, 4-butoxy,2-4-butoxyphenyl acetic acid,acetic acid, p-butoxyphenyl,4-butoxyphenyl acetic acid,4-butoxybenzeneacetic acid,p-butoxyphenyl acetic acid,4-butoxy-phenyl-acetic acid,p-butoxyphenylacetic acid |
| IUPAC Name | 2-(4-butoxyphenyl)acetic acid |
| InChI Key | KLJMYYFCWBVKEE-UHFFFAOYSA-N |
| Molecular Formula | C12H16O3 |
(S)-(-)-XylBINAP 97.0+%, TCI America™
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CAS: 135139-00-3 Molecular Formula: C52H48P2 Molecular Weight (g/mol): 734.904 MDL Number: MFCD01630821 InChI Key: MXGXXBYVDMVJAO-UHFFFAOYSA-N Synonym: s-dm-binap,dm-binap,r-dm-binap,s---2,2'-bis di 3,5-xylyl phosphino-1,1'-binaphthyl,s-3,5-xylyl-binap,r-+-2,2'-bis di 3,5-xylyl phosphino-1,1'-binaphthyl,3,5-xylyl-binap,s-xylyl-binap,r-2,2'-bis bis 3,5-dimethylphenyl phosphino-1,1'-binaphthalene,r-+-xylbinap PubChem CID: 4189905 IUPAC Name: [1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane SMILES: CC1=CC(=CC(=C1)P(C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C
| PubChem CID | 4189905 |
|---|---|
| CAS | 135139-00-3 |
| Molecular Weight (g/mol) | 734.904 |
| MDL Number | MFCD01630821 |
| SMILES | CC1=CC(=CC(=C1)P(C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C |
| Synonym | s-dm-binap,dm-binap,r-dm-binap,s---2,2'-bis di 3,5-xylyl phosphino-1,1'-binaphthyl,s-3,5-xylyl-binap,r-+-2,2'-bis di 3,5-xylyl phosphino-1,1'-binaphthyl,3,5-xylyl-binap,s-xylyl-binap,r-2,2'-bis bis 3,5-dimethylphenyl phosphino-1,1'-binaphthalene,r-+-xylbinap |
| IUPAC Name | [1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane |
| InChI Key | MXGXXBYVDMVJAO-UHFFFAOYSA-N |
| Molecular Formula | C52H48P2 |
9-Anthracenecarboxaldehyde 99.0+%, TCI America™
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CAS: 642-31-9 Molecular Formula: C15H10O Molecular Weight (g/mol): 206.24 MDL Number: MFCD00001254 InChI Key: YMNKUHIVVMFOFO-UHFFFAOYSA-N Synonym: 9-anthraldehyde,9-anthracenecarboxaldehyde,9-anthrylaldehyde,9-formylanthracene,9-anthracenecarbaldehyde,9-anthrylcarboxaldehyde,ccris 3165,nsc 15,anthracene-9-aldehyde,anthracene-9-carboxaldehyde PubChem CID: 69504 IUPAC Name: anthracene-9-carbaldehyde SMILES: O=CC1=C2C=CC=CC2=CC2=CC=CC=C12
| PubChem CID | 69504 |
|---|---|
| CAS | 642-31-9 |
| Molecular Weight (g/mol) | 206.24 |
| MDL Number | MFCD00001254 |
| SMILES | O=CC1=C2C=CC=CC2=CC2=CC=CC=C12 |
| Synonym | 9-anthraldehyde,9-anthracenecarboxaldehyde,9-anthrylaldehyde,9-formylanthracene,9-anthracenecarbaldehyde,9-anthrylcarboxaldehyde,ccris 3165,nsc 15,anthracene-9-aldehyde,anthracene-9-carboxaldehyde |
| IUPAC Name | anthracene-9-carbaldehyde |
| InChI Key | YMNKUHIVVMFOFO-UHFFFAOYSA-N |
| Molecular Formula | C15H10O |
3-Phenylphenol 97.0+%, TCI America™
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CAS: 580-51-8 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.21 MDL Number: MFCD00002294 InChI Key: UBXYXCRCOKCZIT-UHFFFAOYSA-N Synonym: 3-hydroxybiphenyl,1,1'-biphenyl-3-ol,biphenyl-3-ol,m-phenylphenol,m-hydroxydiphenyl,3-biphenylol,m-hydroxybiphenyl,3-hydroxydiphenyl,3-phenyl phenol,unii-zu11x47h4o PubChem CID: 11381 ChEBI: CHEBI:34338 IUPAC Name: [1,1'-biphenyl]-3-ol SMILES: OC1=CC=CC(=C1)C1=CC=CC=C1
| PubChem CID | 11381 |
|---|---|
| CAS | 580-51-8 |
| Molecular Weight (g/mol) | 170.21 |
| ChEBI | CHEBI:34338 |
| MDL Number | MFCD00002294 |
| SMILES | OC1=CC=CC(=C1)C1=CC=CC=C1 |
| Synonym | 3-hydroxybiphenyl,1,1'-biphenyl-3-ol,biphenyl-3-ol,m-phenylphenol,m-hydroxydiphenyl,3-biphenylol,m-hydroxybiphenyl,3-hydroxydiphenyl,3-phenyl phenol,unii-zu11x47h4o |
| IUPAC Name | [1,1'-biphenyl]-3-ol |
| InChI Key | UBXYXCRCOKCZIT-UHFFFAOYSA-N |
| Molecular Formula | C12H10O |
Pentamethoxy Red, TCI America™
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CAS: 1755-51-7 Molecular Formula: C24H26O6 Molecular Weight (g/mol): 410.466 MDL Number: MFCD00070616 InChI Key: GEPSNGQKRLULHW-UHFFFAOYSA-N Synonym: Bis(2,4-dimethoxyphenyl)(2-methoxyphenyl)methanol, 2,2′C,2′C′C,4,4′C-Pentamethoxytriphenylmethanol PubChem CID: 74466 IUPAC Name: bis(2,4-dimethoxyphenyl)-(2-methoxyphenyl)methanol SMILES: COC1=CC(=C(C=C1)C(C2=C(C=C(C=C2)OC)OC)(C3=CC=CC=C3OC)O)OC
| PubChem CID | 74466 |
|---|---|
| CAS | 1755-51-7 |
| Molecular Weight (g/mol) | 410.466 |
| MDL Number | MFCD00070616 |
| SMILES | COC1=CC(=C(C=C1)C(C2=C(C=C(C=C2)OC)OC)(C3=CC=CC=C3OC)O)OC |
| Synonym | Bis(2,4-dimethoxyphenyl)(2-methoxyphenyl)methanol, 2,2′C,2′C′C,4,4′C-Pentamethoxytriphenylmethanol |
| IUPAC Name | bis(2,4-dimethoxyphenyl)-(2-methoxyphenyl)methanol |
| InChI Key | GEPSNGQKRLULHW-UHFFFAOYSA-N |
| Molecular Formula | C24H26O6 |
tert-Butylhydroquinone 98.0+%, TCI America™
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CAS: 1948-33-0 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD00002344 InChI Key: BGNXCDMCOKJUMV-UHFFFAOYSA-N Synonym: tert-butylhydroquinone,tbhq,2-tert-butylhydroquinone,t-butylhydroquinone,mtbhq,t-butyl hydroquinone,2-tert-butyl-1,4-benzenediol,2-t-butylhydroquinone,mono-tert-butylhydroquinone,sustane PubChem CID: 16043 ChEBI: CHEBI:78886 IUPAC Name: 2-tert-butylbenzene-1,4-diol SMILES: CC(C)(C)C1=C(C=CC(=C1)O)O
| PubChem CID | 16043 |
|---|---|
| CAS | 1948-33-0 |
| Molecular Weight (g/mol) | 166.22 |
| ChEBI | CHEBI:78886 |
| MDL Number | MFCD00002344 |
| SMILES | CC(C)(C)C1=C(C=CC(=C1)O)O |
| Synonym | tert-butylhydroquinone,tbhq,2-tert-butylhydroquinone,t-butylhydroquinone,mtbhq,t-butyl hydroquinone,2-tert-butyl-1,4-benzenediol,2-t-butylhydroquinone,mono-tert-butylhydroquinone,sustane |
| IUPAC Name | 2-tert-butylbenzene-1,4-diol |
| InChI Key | BGNXCDMCOKJUMV-UHFFFAOYSA-N |
| Molecular Formula | C10H14O2 |
S-Benzoylthiamine O-Monophosphate 98.0+%, TCI America™
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CAS: 22457-89-2 Molecular Formula: C19H23N4O6PS Molecular Weight (g/mol): 466.45 MDL Number: MFCD00057343,MFCD00057343 InChI Key: BTNNPSLJPBRMLZ-LGMDPLHJSA-N Synonym: benfotiamine,berdi,s-benzoylthiamine o-monophosphate,spectrum5_001042,spectrum1503105,benzoylthiaminmonophosphat,4-n-4-amino-2-methylpyrimidin-5-yl methyl formamido-3-benzoylsulfanyl pent-3-en-1-yl oxyphosphonic acid,s-e-2-4-amino-2-methylpyrimidin-5-yl methyl-formylamino-5-phosphonooxypent-2-en-3-yl benzenecarbothioate PubChem CID: 5282168 IUPAC Name: {[(3Z)-4-{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamido}-3-[(Z)-benzoylsulfanyl]pent-3-en-1-yl]oxy}phosphonic acid SMILES: C\C(N(CC1=CN=C(C)N=C1N)C=O)=C(/CCOP(O)(O)=O)SC(=O)C1=CC=CC=C1
| PubChem CID | 5282168 |
|---|---|
| CAS | 22457-89-2 |
| Molecular Weight (g/mol) | 466.45 |
| MDL Number | MFCD00057343,MFCD00057343 |
| SMILES | C\C(N(CC1=CN=C(C)N=C1N)C=O)=C(/CCOP(O)(O)=O)SC(=O)C1=CC=CC=C1 |
| Synonym | benfotiamine,berdi,s-benzoylthiamine o-monophosphate,spectrum5_001042,spectrum1503105,benzoylthiaminmonophosphat,4-n-4-amino-2-methylpyrimidin-5-yl methyl formamido-3-benzoylsulfanyl pent-3-en-1-yl oxyphosphonic acid,s-e-2-4-amino-2-methylpyrimidin-5-yl methyl-formylamino-5-phosphonooxypent-2-en-3-yl benzenecarbothioate |
| IUPAC Name | {[(3Z)-4-{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamido}-3-[(Z)-benzoylsulfanyl]pent-3-en-1-yl]oxy}phosphonic acid |
| InChI Key | BTNNPSLJPBRMLZ-LGMDPLHJSA-N |
| Molecular Formula | C19H23N4O6PS |
N,N',N″-Tris(p-toluenesulfonyl)diethylenetriamine 98.0+%, TCI America™
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CAS: 56187-04-3 Molecular Formula: C25H31N3O6S3 Molecular Weight (g/mol): 565.718 MDL Number: MFCD00015623 InChI Key: OCDIAWYQMCPHAM-UHFFFAOYSA-N Synonym: N,N′C,N′C′C-Tritosyldiethylenetriamine PubChem CID: 316685 IUPAC Name: 4-methyl-N-[2-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]benzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCCN(CCNS(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C
| PubChem CID | 316685 |
|---|---|
| CAS | 56187-04-3 |
| Molecular Weight (g/mol) | 565.718 |
| MDL Number | MFCD00015623 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCCN(CCNS(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C |
| Synonym | N,N′C,N′C′C-Tritosyldiethylenetriamine |
| IUPAC Name | 4-methyl-N-[2-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]benzenesulfonamide |
| InChI Key | OCDIAWYQMCPHAM-UHFFFAOYSA-N |
| Molecular Formula | C25H31N3O6S3 |
3-Bromobenzoic Acid 98.0+%, TCI America™
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CAS: 585-76-2 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.019 MDL Number: MFCD00002487 InChI Key: VOIZNVUXCQLQHS-UHFFFAOYSA-N Synonym: m-bromobenzoic acid,3-brombenzoic acid,benzoic acid, 3-bromo,3-bromo-benzoic acid,benzoic acid, m-bromo,unii-7dct3a73lx,7dct3a73lx,3-bromo benzene acid,3-bromobenzoicacid,4-fluorobenzoicacid PubChem CID: 11456 IUPAC Name: 3-bromobenzoic acid SMILES: C1=CC(=CC(=C1)Br)C(=O)O
| PubChem CID | 11456 |
|---|---|
| CAS | 585-76-2 |
| Molecular Weight (g/mol) | 201.019 |
| MDL Number | MFCD00002487 |
| SMILES | C1=CC(=CC(=C1)Br)C(=O)O |
| Synonym | m-bromobenzoic acid,3-brombenzoic acid,benzoic acid, 3-bromo,3-bromo-benzoic acid,benzoic acid, m-bromo,unii-7dct3a73lx,7dct3a73lx,3-bromo benzene acid,3-bromobenzoicacid,4-fluorobenzoicacid |
| IUPAC Name | 3-bromobenzoic acid |
| InChI Key | VOIZNVUXCQLQHS-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrO2 |
4-Chlorophenol 98.0+%, TCI America™
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CAS: 106-48-9 Molecular Formula: C6H5ClO Molecular Weight (g/mol): 128.555 MDL Number: MFCD00002318 InChI Key: WXNZTHHGJRFXKQ-UHFFFAOYSA-N Synonym: p-chlorophenol,parachlorophenol,phenol, 4-chloro,4-hydroxychlorobenzene,phenol, p-chloro,applied 3-78,4-monochlorophenol,p-chlorophenic acid,p-chlorfenol,4-chloro-1-hydroxybenzene PubChem CID: 4684 ChEBI: CHEBI:28078 IUPAC Name: 4-chlorophenol SMILES: C1=CC(=CC=C1O)Cl
| PubChem CID | 4684 |
|---|---|
| CAS | 106-48-9 |
| Molecular Weight (g/mol) | 128.555 |
| ChEBI | CHEBI:28078 |
| MDL Number | MFCD00002318 |
| SMILES | C1=CC(=CC=C1O)Cl |
| Synonym | p-chlorophenol,parachlorophenol,phenol, 4-chloro,4-hydroxychlorobenzene,phenol, p-chloro,applied 3-78,4-monochlorophenol,p-chlorophenic acid,p-chlorfenol,4-chloro-1-hydroxybenzene |
| IUPAC Name | 4-chlorophenol |
| InChI Key | WXNZTHHGJRFXKQ-UHFFFAOYSA-N |
| Molecular Formula | C6H5ClO |