Organic compounds
Organic compounds are a class of chemical compounds that contain one or more atoms of carbon covalently bonded to each other and atoms of other elements such as hydrogen, oxygen, nitrogen, sulfur, etc.
Compounds or allotropes of carbon that contain only carbon atoms are classified as inorganic compounds and exhibit novel properties.
This class of chemicals has a wide range of applications and includes graphite, diamond, and the more recently discovered graphene, fullerenes, and other carbon nanotubes. In fact, the majority of elements in the periodic table of elements are inorganic compounds.
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Nonafluoro-2-iodobutane, 98%, stab. with copper
CAS: 375-51-9 Molecular Formula: C4F9I Molecular Weight (g/mol): 345.93 MDL Number: MFCD00077556 InChI Key: FBJVLVWUMYWJMY-UHFFFAOYNA-N Synonym: 2-iodononafluorobutane,2-iodoperfluorobutane,nonafluor-2-jodbutan,acmc-20ansx,nonafluoro-s-butyliodide,nonafluoro-sec-butyl iodide,2-iodo nonafluoro butane,3-iodo-1,1,1,2,2,3,4,4,4-nonafluorobutane,butane,1,1,1,2,2,3,4,4,4-nonafluoro-3-iodo,1,1,1,2,2,3,4,4,4-nonakis fluoranyl-3-iodanyl-butane PubChem CID: 2775165 IUPAC Name: 1,1,1,2,2,3,4,4,4-nonafluoro-3-iodobutane SMILES: FC(F)(F)C(F)(F)C(F)(I)C(F)(F)F
| PubChem CID | 2775165 |
|---|---|
| CAS | 375-51-9 |
| Molecular Weight (g/mol) | 345.93 |
| MDL Number | MFCD00077556 |
| SMILES | FC(F)(F)C(F)(F)C(F)(I)C(F)(F)F |
| Synonym | 2-iodononafluorobutane,2-iodoperfluorobutane,nonafluor-2-jodbutan,acmc-20ansx,nonafluoro-s-butyliodide,nonafluoro-sec-butyl iodide,2-iodo nonafluoro butane,3-iodo-1,1,1,2,2,3,4,4,4-nonafluorobutane,butane,1,1,1,2,2,3,4,4,4-nonafluoro-3-iodo,1,1,1,2,2,3,4,4,4-nonakis fluoranyl-3-iodanyl-butane |
| IUPAC Name | 1,1,1,2,2,3,4,4,4-nonafluoro-3-iodobutane |
| InChI Key | FBJVLVWUMYWJMY-UHFFFAOYNA-N |
| Molecular Formula | C4F9I |
(R)-(-)-3-Chloro-1,2-propanediol, 97%, ee 98%
CAS: 57090-45-6 Molecular Formula: C3H7ClO2 Molecular Weight (g/mol): 110.537 MDL Number: MFCD00135169 InChI Key: SSZWWUDQMAHNAQ-VKHMYHEASA-N Synonym: r---3-chloro-1,2-propanediol,r-3-chloro-1,2-propanediol,2r-3-chloropropane-1,2-diol,r-3-chloropropane-1,2-diol,alpha-chlorohydrin,-,unii-64ymo02kae,ccris 7387,1,2-propanediol, 3-chloro-, r,64ymo02kae,1,2-propanediol, 3-chloro-, 2r PubChem CID: 148793 ChEBI: CHEBI:18663 IUPAC Name: (2R)-3-chloropropane-1,2-diol SMILES: C(C(CCl)O)O
| PubChem CID | 148793 |
|---|---|
| CAS | 57090-45-6 |
| Molecular Weight (g/mol) | 110.537 |
| ChEBI | CHEBI:18663 |
| MDL Number | MFCD00135169 |
| SMILES | C(C(CCl)O)O |
| Synonym | r---3-chloro-1,2-propanediol,r-3-chloro-1,2-propanediol,2r-3-chloropropane-1,2-diol,r-3-chloropropane-1,2-diol,alpha-chlorohydrin,-,unii-64ymo02kae,ccris 7387,1,2-propanediol, 3-chloro-, r,64ymo02kae,1,2-propanediol, 3-chloro-, 2r |
| IUPAC Name | (2R)-3-chloropropane-1,2-diol |
| InChI Key | SSZWWUDQMAHNAQ-VKHMYHEASA-N |
| Molecular Formula | C3H7ClO2 |
Biphenyl-2-boronic acid, 95%
CAS: 4688-76-0 Molecular Formula: C12H11BO2 Molecular Weight (g/mol): 198.028 MDL Number: MFCD00136929 InChI Key: HYCYKHYFIWHGEX-UHFFFAOYSA-N Synonym: 2-biphenylboronic acid,biphenyl-2-boronic acid,biphenyl-2-ylboronic acid,2-biphenylboronicacid,2-phenylphenyl boranediol,2-phenylphenyl boronic acid,1,1'-biphenyl-2-ylboronic acid,2-biphenylylboronic acid,1,1'-biphenylboronic acid,2-phenylbenzeneboronic acid PubChem CID: 4589187 IUPAC Name: (2-phenylphenyl)boronic acid SMILES: B(C1=CC=CC=C1C2=CC=CC=C2)(O)O
| PubChem CID | 4589187 |
|---|---|
| CAS | 4688-76-0 |
| Molecular Weight (g/mol) | 198.028 |
| MDL Number | MFCD00136929 |
| SMILES | B(C1=CC=CC=C1C2=CC=CC=C2)(O)O |
| Synonym | 2-biphenylboronic acid,biphenyl-2-boronic acid,biphenyl-2-ylboronic acid,2-biphenylboronicacid,2-phenylphenyl boranediol,2-phenylphenyl boronic acid,1,1'-biphenyl-2-ylboronic acid,2-biphenylylboronic acid,1,1'-biphenylboronic acid,2-phenylbenzeneboronic acid |
| IUPAC Name | (2-phenylphenyl)boronic acid |
| InChI Key | HYCYKHYFIWHGEX-UHFFFAOYSA-N |
| Molecular Formula | C12H11BO2 |
Methyl p-tolyl sulfide, 97%
CAS: 623-13-2 Molecular Formula: C8H10S Molecular Weight (g/mol): 138.23 MDL Number: MFCD00008560 InChI Key: VHILIAIEEYLJNA-UHFFFAOYSA-N Synonym: methyl p-tolyl sulfide,4-methylthioanisole,4-methylthio toluene,p-methylthio toluene,benzene, 1-methyl-4-methylthio,p-tolyl methyl sulfide,p-methylphenyl methyl sulfide,methyl p-cresyl sulfide,p-cresyl methyl sulfide PubChem CID: 69334 IUPAC Name: 1-methyl-4-methylsulfanylbenzene SMILES: CSC1=CC=C(C)C=C1
| PubChem CID | 69334 |
|---|---|
| CAS | 623-13-2 |
| Molecular Weight (g/mol) | 138.23 |
| MDL Number | MFCD00008560 |
| SMILES | CSC1=CC=C(C)C=C1 |
| Synonym | methyl p-tolyl sulfide,4-methylthioanisole,4-methylthio toluene,p-methylthio toluene,benzene, 1-methyl-4-methylthio,p-tolyl methyl sulfide,p-methylphenyl methyl sulfide,methyl p-cresyl sulfide,p-cresyl methyl sulfide |
| IUPAC Name | 1-methyl-4-methylsulfanylbenzene |
| InChI Key | VHILIAIEEYLJNA-UHFFFAOYSA-N |
| Molecular Formula | C8H10S |
7-Methyl-8-nitroquinoline, 98+%
CAS: 7471-63-8 Molecular Formula: C10H8N2O2 Molecular Weight (g/mol): 188.186 MDL Number: MFCD00041234 InChI Key: ZZDTVYJYMRSNQL-UHFFFAOYSA-N Synonym: quinoline, 7-methyl-8-nitro,8-nitro-7-methylquinoline,7-methyl-8-nitro-quinoline,acmc-1bcox,7-methyl 8-nitroquinoline PubChem CID: 81981 IUPAC Name: 7-methyl-8-nitroquinoline SMILES: CC1=C(C2=C(C=CC=N2)C=C1)[N+](=O)[O-]
| PubChem CID | 81981 |
|---|---|
| CAS | 7471-63-8 |
| Molecular Weight (g/mol) | 188.186 |
| MDL Number | MFCD00041234 |
| SMILES | CC1=C(C2=C(C=CC=N2)C=C1)[N+](=O)[O-] |
| Synonym | quinoline, 7-methyl-8-nitro,8-nitro-7-methylquinoline,7-methyl-8-nitro-quinoline,acmc-1bcox,7-methyl 8-nitroquinoline |
| IUPAC Name | 7-methyl-8-nitroquinoline |
| InChI Key | ZZDTVYJYMRSNQL-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2O2 |
4,4″-Diamino-p-terphenyl, 95%
CAS: 3365-85-3 Molecular Formula: C18H16N2 Molecular Weight (g/mol): 260.34 MDL Number: MFCD00051532 InChI Key: QBSMHWVGUPQNJJ-UHFFFAOYSA-N Synonym: 4,4-diamino-p-terphenyl,4,4-diaminoterphenyl,4-4-4-aminophenyl phenyl aniline,ccris 4965,p-terphenyl, 4,4-diamine,1,1':4',1-terphenyl-4,4-diamine,4'-4-aminophenyl-1,1'-biphenyl-4-amine,4,4-diamino-4-terphenyl PubChem CID: 104949 IUPAC Name: 4-[4-(4-aminophenyl)phenyl]aniline SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)N)C3=CC=C(C=C3)N
| PubChem CID | 104949 |
|---|---|
| CAS | 3365-85-3 |
| Molecular Weight (g/mol) | 260.34 |
| MDL Number | MFCD00051532 |
| SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)N)C3=CC=C(C=C3)N |
| Synonym | 4,4-diamino-p-terphenyl,4,4-diaminoterphenyl,4-4-4-aminophenyl phenyl aniline,ccris 4965,p-terphenyl, 4,4-diamine,1,1':4',1-terphenyl-4,4-diamine,4'-4-aminophenyl-1,1'-biphenyl-4-amine,4,4-diamino-4-terphenyl |
| IUPAC Name | 4-[4-(4-aminophenyl)phenyl]aniline |
| InChI Key | QBSMHWVGUPQNJJ-UHFFFAOYSA-N |
| Molecular Formula | C18H16N2 |
3,4-Dichlorobenzyl bromide, 98%
CAS: 18880-04-1 Molecular Formula: C7H5BrCl2 Molecular Weight (g/mol): 239.921 MDL Number: MFCD00041363 InChI Key: XLWSBDFQAJXCQX-UHFFFAOYSA-N Synonym: 3,4-dichlorobenzyl bromide,4-bromomethyl-1,2-dichlorobenzene,benzene, 4-bromomethyl-1,2-dichloro,3,4-dichlorobenzylbromide,alpha-bromo-3,4-dichlorotoluene,acmc-209erq,3,4 dichlorobenzyl bromide,3,4-dichloro-benzyl bromide,ksc493a6b,timtec-bb sbb005763 PubChem CID: 639726 IUPAC Name: 4-(bromomethyl)-1,2-dichlorobenzene SMILES: C1=CC(=C(C=C1CBr)Cl)Cl
| PubChem CID | 639726 |
|---|---|
| CAS | 18880-04-1 |
| Molecular Weight (g/mol) | 239.921 |
| MDL Number | MFCD00041363 |
| SMILES | C1=CC(=C(C=C1CBr)Cl)Cl |
| Synonym | 3,4-dichlorobenzyl bromide,4-bromomethyl-1,2-dichlorobenzene,benzene, 4-bromomethyl-1,2-dichloro,3,4-dichlorobenzylbromide,alpha-bromo-3,4-dichlorotoluene,acmc-209erq,3,4 dichlorobenzyl bromide,3,4-dichloro-benzyl bromide,ksc493a6b,timtec-bb sbb005763 |
| IUPAC Name | 4-(bromomethyl)-1,2-dichlorobenzene |
| InChI Key | XLWSBDFQAJXCQX-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrCl2 |
4-Phenylimidazole, 98+%
CAS: 670-95-1 Molecular Formula: C9H8N2 Molecular Weight (g/mol): 144.177 MDL Number: MFCD00005197 InChI Key: XHLKOHSAWQPOFO-UHFFFAOYSA-N Synonym: 4-phenylimidazole,4-phenyl-1h-imidazole,1h-imidazole, 4-phenyl,4 5-phenylimidazole,imidazole, 4-phenyl,4-phenyl imidazole,chembl14145,pim,4-phenyl-1h-imidazol,5-phenylimidazole PubChem CID: 69590 IUPAC Name: 5-phenyl-1H-imidazole SMILES: C1=CC=C(C=C1)C2=CN=CN2
| PubChem CID | 69590 |
|---|---|
| CAS | 670-95-1 |
| Molecular Weight (g/mol) | 144.177 |
| MDL Number | MFCD00005197 |
| SMILES | C1=CC=C(C=C1)C2=CN=CN2 |
| Synonym | 4-phenylimidazole,4-phenyl-1h-imidazole,1h-imidazole, 4-phenyl,4 5-phenylimidazole,imidazole, 4-phenyl,4-phenyl imidazole,chembl14145,pim,4-phenyl-1h-imidazol,5-phenylimidazole |
| IUPAC Name | 5-phenyl-1H-imidazole |
| InChI Key | XHLKOHSAWQPOFO-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2 |
Methoxyacetyl chloride, 97%, stab. with ca 0.3% magnesium oxide
CAS: 38870-89-2 Molecular Formula: C3H5ClO2 Molecular Weight (g/mol): 108.521 MDL Number: MFCD00000728 InChI Key: JJKWHOSQTYYFAE-UHFFFAOYSA-N Synonym: methoxyacetyl chloride,methoxyacetylchloride,acetyl chloride, methoxy,methoxy-acetyl chloride,methoxyacetic acid chloride,unii-t66s02b1s3,methoxy acetylchloride,2-methoxyacetylchloride,methoxy acetyl chloride,ch3och2cocl PubChem CID: 96623 IUPAC Name: 2-methoxyacetyl chloride SMILES: COCC(=O)Cl
| PubChem CID | 96623 |
|---|---|
| CAS | 38870-89-2 |
| Molecular Weight (g/mol) | 108.521 |
| MDL Number | MFCD00000728 |
| SMILES | COCC(=O)Cl |
| Synonym | methoxyacetyl chloride,methoxyacetylchloride,acetyl chloride, methoxy,methoxy-acetyl chloride,methoxyacetic acid chloride,unii-t66s02b1s3,methoxy acetylchloride,2-methoxyacetylchloride,methoxy acetyl chloride,ch3och2cocl |
| IUPAC Name | 2-methoxyacetyl chloride |
| InChI Key | JJKWHOSQTYYFAE-UHFFFAOYSA-N |
| Molecular Formula | C3H5ClO2 |
3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride, 98%
CAS: 4568-71-2 Molecular Formula: C13H16ClNOS Molecular Weight (g/mol): 269.79 MDL Number: MFCD00011959 InChI Key: IWSVLBKHBJGMAA-UHFFFAOYSA-M Synonym: 3-benzyl-5-2-hydroxyethyl-4-methylthiazolium chloride,3-benzyl-5-2-hydroxyethyl-4-methylthiazol-3-ium chloride,3-benzyl-5-2-hydroxyethyl-4-methyl-1,3-thiazol-3-ium chloride,thiazolium, 5-2-hydroxyethyl-4-methyl-3-phenylmethyl-, chloride,2-4-methyl-3-benzyl-1,3-thiazol-5-yl ethan-1-ol, chloride,acmc-1aqyn,3-benzyl-5-2-hydroxyethyl thazolium chloride,3-benzyl-4-methyl-5-hydroxyethylthiazolium chloride,3-benzyl-5-hydroxyethyl-4-methylthiazolium chloride,3-benzyl-5 2-hydroxyethyl-4-methylthiazolium chloride PubChem CID: 2833352 IUPAC Name: 2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol;chloride SMILES: [Cl-].CC1=C(CCO)SC=[N+]1CC1=CC=CC=C1
| PubChem CID | 2833352 |
|---|---|
| CAS | 4568-71-2 |
| Molecular Weight (g/mol) | 269.79 |
| MDL Number | MFCD00011959 |
| SMILES | [Cl-].CC1=C(CCO)SC=[N+]1CC1=CC=CC=C1 |
| Synonym | 3-benzyl-5-2-hydroxyethyl-4-methylthiazolium chloride,3-benzyl-5-2-hydroxyethyl-4-methylthiazol-3-ium chloride,3-benzyl-5-2-hydroxyethyl-4-methyl-1,3-thiazol-3-ium chloride,thiazolium, 5-2-hydroxyethyl-4-methyl-3-phenylmethyl-, chloride,2-4-methyl-3-benzyl-1,3-thiazol-5-yl ethan-1-ol, chloride,acmc-1aqyn,3-benzyl-5-2-hydroxyethyl thazolium chloride,3-benzyl-4-methyl-5-hydroxyethylthiazolium chloride,3-benzyl-5-hydroxyethyl-4-methylthiazolium chloride,3-benzyl-5 2-hydroxyethyl-4-methylthiazolium chloride |
| IUPAC Name | 2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol;chloride |
| InChI Key | IWSVLBKHBJGMAA-UHFFFAOYSA-M |
| Molecular Formula | C13H16ClNOS |
4,6-Dihydroxy-1H-pyrazolo[3,4-d]pyrimidine, 98+%
CAS: 2465-59-0 Molecular Formula: C5H4N4O2 Molecular Weight (g/mol): 152.113 MDL Number: MFCD00056934 InChI Key: HXNFUBHNUDHIGC-UHFFFAOYSA-N Synonym: oxypurinol,oxipurinol,alloxanthine,1h-pyrazolo 3,4-d pyrimidine-4,6-diol,oxoallopurinol,4,6-dihydroxypyrazolo 3,4-d pyrimidine,1h-pyrazolo 3,4-d pyrimidine-4,6 5h,7h-dione,oxipurinolum,1h-pyrazolo 3,4-d pyrimidine-4,6 2h,5h-dione,alloxanthin van PubChem CID: 4644 ChEBI: CHEBI:28315 IUPAC Name: 1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione SMILES: C1=C2C(=NC(=O)NC2=O)NN1
| PubChem CID | 4644 |
|---|---|
| CAS | 2465-59-0 |
| Molecular Weight (g/mol) | 152.113 |
| ChEBI | CHEBI:28315 |
| MDL Number | MFCD00056934 |
| SMILES | C1=C2C(=NC(=O)NC2=O)NN1 |
| Synonym | oxypurinol,oxipurinol,alloxanthine,1h-pyrazolo 3,4-d pyrimidine-4,6-diol,oxoallopurinol,4,6-dihydroxypyrazolo 3,4-d pyrimidine,1h-pyrazolo 3,4-d pyrimidine-4,6 5h,7h-dione,oxipurinolum,1h-pyrazolo 3,4-d pyrimidine-4,6 2h,5h-dione,alloxanthin van |
| IUPAC Name | 1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione |
| InChI Key | HXNFUBHNUDHIGC-UHFFFAOYSA-N |
| Molecular Formula | C5H4N4O2 |
3-Fluorophenylhydrazine hydrochloride, 98%
CAS: 2924-16-5 Molecular Formula: C6H8ClFN2 Molecular Weight (g/mol): 162.592 MDL Number: MFCD00012934 InChI Key: SKVGLOFWEJFQKU-UHFFFAOYSA-N Synonym: 3-fluorophenylhydrazine hydrochloride,3-fluorophenyl hydrazine hydrochloride,3-fluorophenylhydrazine hcl,3-fluorophenyl hydrazine hcl,m-fluorophenylhydrazine hydrochloride,hydrazine, 3-fluorophenyl-, monohydrochloride,1-3-fluorophenyl hydrazine hydrochloride,3-fluoro-phenyl-hydrazine,pubchem3341,acmc-20a0dq PubChem CID: 2723914 IUPAC Name: (3-fluorophenyl)hydrazine;hydrochloride SMILES: C1=CC(=CC(=C1)F)NN.Cl
| PubChem CID | 2723914 |
|---|---|
| CAS | 2924-16-5 |
| Molecular Weight (g/mol) | 162.592 |
| MDL Number | MFCD00012934 |
| SMILES | C1=CC(=CC(=C1)F)NN.Cl |
| Synonym | 3-fluorophenylhydrazine hydrochloride,3-fluorophenyl hydrazine hydrochloride,3-fluorophenylhydrazine hcl,3-fluorophenyl hydrazine hcl,m-fluorophenylhydrazine hydrochloride,hydrazine, 3-fluorophenyl-, monohydrochloride,1-3-fluorophenyl hydrazine hydrochloride,3-fluoro-phenyl-hydrazine,pubchem3341,acmc-20a0dq |
| IUPAC Name | (3-fluorophenyl)hydrazine;hydrochloride |
| InChI Key | SKVGLOFWEJFQKU-UHFFFAOYSA-N |
| Molecular Formula | C6H8ClFN2 |
4-Amino-3-penten-2-one, 96%
CAS: 1118-66-7 Molecular Formula: C5H9NO Molecular Weight (g/mol): 99.133 MDL Number: MFCD00043715 InChI Key: OSLAYKKXCYSJSF-ONEGZZNKSA-N Synonym: acetylacetonamine,fluoral-p,4-amino-3-penten-2-one,e-4-aminopent-3-en-2-one,3-penten-2-one, 4-amino,3e-4-aminopent-3-en-2-one,4-aminopent-3-en-2-one,4-amino-pent-3-en-2-one,e-4-amino-3-pentene-2-one,2-acetyl-1-amino-1-methylethylene PubChem CID: 5367854 ChEBI: CHEBI:51695 IUPAC Name: (E)-4-aminopent-3-en-2-one SMILES: CC(=CC(=O)C)N
| PubChem CID | 5367854 |
|---|---|
| CAS | 1118-66-7 |
| Molecular Weight (g/mol) | 99.133 |
| ChEBI | CHEBI:51695 |
| MDL Number | MFCD00043715 |
| SMILES | CC(=CC(=O)C)N |
| Synonym | acetylacetonamine,fluoral-p,4-amino-3-penten-2-one,e-4-aminopent-3-en-2-one,3-penten-2-one, 4-amino,3e-4-aminopent-3-en-2-one,4-aminopent-3-en-2-one,4-amino-pent-3-en-2-one,e-4-amino-3-pentene-2-one,2-acetyl-1-amino-1-methylethylene |
| IUPAC Name | (E)-4-aminopent-3-en-2-one |
| InChI Key | OSLAYKKXCYSJSF-ONEGZZNKSA-N |
| Molecular Formula | C5H9NO |
2-Amino-5-hydroxybenzoic acid, 98%
CAS: 394-31-0 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD00007870 InChI Key: HYNQTSZBTIOFKH-UHFFFAOYSA-N Synonym: 5-hydroxyanthranilic acid,diabeton,benzoic acid, 2-amino-5-hydroxy,2-amino-5-hydroxy benzoic acid,unii-uf9ww3i410,2-amino-5-hydroxy-benzoic acid,5-hydroxyanthranillicacid,pubchem15307,4-amino-3-carboxyphenol,5-hydroxyanthranillic acid PubChem CID: 164592 IUPAC Name: 2-amino-5-hydroxybenzoic acid SMILES: C1=CC(=C(C=C1O)C(=O)O)N
| PubChem CID | 164592 |
|---|---|
| CAS | 394-31-0 |
| Molecular Weight (g/mol) | 153.137 |
| MDL Number | MFCD00007870 |
| SMILES | C1=CC(=C(C=C1O)C(=O)O)N |
| Synonym | 5-hydroxyanthranilic acid,diabeton,benzoic acid, 2-amino-5-hydroxy,2-amino-5-hydroxy benzoic acid,unii-uf9ww3i410,2-amino-5-hydroxy-benzoic acid,5-hydroxyanthranillicacid,pubchem15307,4-amino-3-carboxyphenol,5-hydroxyanthranillic acid |
| IUPAC Name | 2-amino-5-hydroxybenzoic acid |
| InChI Key | HYNQTSZBTIOFKH-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
3-(Trifluoromethyl)phenyl isothiocyanate, 98%
CAS: 1840-19-3 Molecular Formula: C8H4F3NS Molecular Weight (g/mol): 203.182 MDL Number: MFCD00004806 InChI Key: GFEPANUKFYVALF-UHFFFAOYSA-N Synonym: 3-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-3-trifluoromethyl benzene,3-trifluoromethyl phenylisothiocyanate,benzene, 1-isothiocyanato-3-trifluoromethyl,m-trifluoromethyl phenyl isothiocyanate,alpha,alpha,alpha-trifluoro-m-tolyl isothiocyanate,3-trifluoromethylphenyl isothiocyanate,1-isothiocyanato-3-trifluoromethyl-benzene,benzene,1-isothiocyanato-3-trifluoromethyl PubChem CID: 137232 IUPAC Name: 1-isothiocyanato-3-(trifluoromethyl)benzene SMILES: C1=CC(=CC(=C1)N=C=S)C(F)(F)F
| PubChem CID | 137232 |
|---|---|
| CAS | 1840-19-3 |
| Molecular Weight (g/mol) | 203.182 |
| MDL Number | MFCD00004806 |
| SMILES | C1=CC(=CC(=C1)N=C=S)C(F)(F)F |
| Synonym | 3-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-3-trifluoromethyl benzene,3-trifluoromethyl phenylisothiocyanate,benzene, 1-isothiocyanato-3-trifluoromethyl,m-trifluoromethyl phenyl isothiocyanate,alpha,alpha,alpha-trifluoro-m-tolyl isothiocyanate,3-trifluoromethylphenyl isothiocyanate,1-isothiocyanato-3-trifluoromethyl-benzene,benzene,1-isothiocyanato-3-trifluoromethyl |
| IUPAC Name | 1-isothiocyanato-3-(trifluoromethyl)benzene |
| InChI Key | GFEPANUKFYVALF-UHFFFAOYSA-N |
| Molecular Formula | C8H4F3NS |