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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1,096 – 1,110 of 57,364 results

1,096

1-Iodo-4-nitrobenzene, 99%

CAS: 636-98-6 Molecular Formula: C₆H₄INO₂ Molecular Weight (g/mol): 249.01 MDL Number: MFCD00007299 InChI Key: SCCCFNJTCDSLCY-UHFFFAOYSA-N Synonym: benzene, 1-iodo-4-nitro,p-iodonitrobenzene,4-iodonitrobenzene,p-nitroiodobenzene,4-nitroiodobenzene,4-iodo-nitrobenzene,p-nitrophenyl iodide,1-iodo-4-nitro-benzene,4-iodo-1-nitrobenzene,4-nitro-1-iodobenzene PubChem CID: 12495 IUPAC Name: 1-iodo-4-nitrobenzene SMILES: C1=CC(=CC=C1[N+](=O)[O-])I

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Specifications

PubChem CID	12495
CAS	636-98-6
Molecular Weight (g/mol)	249.01
MDL Number	MFCD00007299
SMILES	C1=CC(=CC=C1[N+](=O)[O-])I
Synonym	benzene, 1-iodo-4-nitro,p-iodonitrobenzene,4-iodonitrobenzene,p-nitroiodobenzene,4-nitroiodobenzene,4-iodo-nitrobenzene,p-nitrophenyl iodide,1-iodo-4-nitro-benzene,4-iodo-1-nitrobenzene,4-nitro-1-iodobenzene
IUPAC Name	1-iodo-4-nitrobenzene
InChI Key	SCCCFNJTCDSLCY-UHFFFAOYSA-N
Molecular Formula	C₆H₄INO₂

1,097

1-Iodo-2-(trifluoromethoxy)benzene, 97%, Thermo Scientific™

CAS: 175278-00-9 Molecular Formula: C7H4F3IO Molecular Weight (g/mol): 288.01 MDL Number: MFCD00042410 InChI Key: GYBMJVZOZTVDKS-UHFFFAOYSA-N Synonym: 1-iodo-2-trifluoromethoxy benzene,2-trifluoromethoxy iodobenzene,benzene, 1-iodo-2-trifluoromethoxy,2-iodo trifluoromethoxy benzene,o-iodotrifluoromethoxybenzene,o-trifluoromethoxy iodobenzene,alpha,alpha,alpha-trifluoro-2-iodoanisole,pubchem1077,acmc-1ca3h,ksc494o5n PubChem CID: 2777292 IUPAC Name: 1-iodo-2-(trifluoromethoxy)benzene SMILES: FC(F)(F)OC1=CC=CC=C1I

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Specifications

PubChem CID	2777292
CAS	175278-00-9
Molecular Weight (g/mol)	288.01
MDL Number	MFCD00042410
SMILES	FC(F)(F)OC1=CC=CC=C1I
Synonym	1-iodo-2-trifluoromethoxy benzene,2-trifluoromethoxy iodobenzene,benzene, 1-iodo-2-trifluoromethoxy,2-iodo trifluoromethoxy benzene,o-iodotrifluoromethoxybenzene,o-trifluoromethoxy iodobenzene,alpha,alpha,alpha-trifluoro-2-iodoanisole,pubchem1077,acmc-1ca3h,ksc494o5n
IUPAC Name	1-iodo-2-(trifluoromethoxy)benzene
InChI Key	GYBMJVZOZTVDKS-UHFFFAOYSA-N
Molecular Formula	C7H4F3IO

1,098

4-(2-Iodophenoxy)tetrahydropyran, 97%, Thermo Scientific™

CAS: 906352-70-3 Molecular Formula: C11H13IO2 Molecular Weight (g/mol): 304.127 MDL Number: MFCD09064961 InChI Key: ADTBIBCNKWWYRD-UHFFFAOYSA-N Synonym: 4-2-iodophenoxy tetrahydropyran,4-2-iodophenoxy oxane,4-2-iodophenoxy tetrahydro-2h-pyran PubChem CID: 21981312 IUPAC Name: 4-(2-iodophenoxy)oxane SMILES: C1COCCC1OC2=CC=CC=C2I

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Specifications

PubChem CID	21981312
CAS	906352-70-3
Molecular Weight (g/mol)	304.127
MDL Number	MFCD09064961
SMILES	C1COCCC1OC2=CC=CC=C2I
Synonym	4-2-iodophenoxy tetrahydropyran,4-2-iodophenoxy oxane,4-2-iodophenoxy tetrahydro-2h-pyran
IUPAC Name	4-(2-iodophenoxy)oxane
InChI Key	ADTBIBCNKWWYRD-UHFFFAOYSA-N
Molecular Formula	C11H13IO2

1,099

1-Benzyloxy-3-iodobenzene, 99%

CAS: 107623-21-2 Molecular Formula: C13H11IO Molecular Weight (g/mol): 310.13 MDL Number: MFCD01318100 InChI Key: QMKHOPJXDQAHBG-UHFFFAOYSA-N Synonym: 1-benzyloxy-3-iodobenzene,3-iodobenzyloxybenzene,1-benzyloxy-3-iodo-benzene,benzene,1-iodo-3-phenylmethoxy,benzene, 1-iodo-3-phenylmethoxy,pubchem3066,3-benzyloxyiodobenzene,acmc-1c7zz,1-benzyl-oxy-3-iodobenzene PubChem CID: 4228019 IUPAC Name: 1-iodo-3-phenylmethoxybenzene SMILES: IC1=CC=CC(OCC2=CC=CC=C2)=C1

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Specifications

PubChem CID	4228019
CAS	107623-21-2
Molecular Weight (g/mol)	310.13
MDL Number	MFCD01318100
SMILES	IC1=CC=CC(OCC2=CC=CC=C2)=C1
Synonym	1-benzyloxy-3-iodobenzene,3-iodobenzyloxybenzene,1-benzyloxy-3-iodo-benzene,benzene,1-iodo-3-phenylmethoxy,benzene, 1-iodo-3-phenylmethoxy,pubchem3066,3-benzyloxyiodobenzene,acmc-1c7zz,1-benzyl-oxy-3-iodobenzene
IUPAC Name	1-iodo-3-phenylmethoxybenzene
InChI Key	QMKHOPJXDQAHBG-UHFFFAOYSA-N
Molecular Formula	C13H11IO

1,100

Ethyl 2-fluorophenylacetate, 99%, Thermo Scientific Chemicals

CAS: 584-74-7 Molecular Formula: C10H11FO2 Molecular Weight (g/mol): 182.194 MDL Number: MFCD04039343 InChI Key: OFWMNCYZASDVSS-UHFFFAOYSA-N Synonym: ethyl 2-2-fluorophenyl acetate,ethyl 2-fluorophenylacetate,ethyl 2-fluorophenyl acetate,2-fluorophenylacetic acid ethyl ester,benzeneacetic acid, 2-fluoro-, ethyl ester,acmc-209uz7,ethyl 2-fluorobenzeneacetate PubChem CID: 7578179 IUPAC Name: ethyl 2-(2-fluorophenyl)acetate SMILES: CCOC(=O)CC1=CC=CC=C1F

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Specifications

PubChem CID	7578179
CAS	584-74-7
Molecular Weight (g/mol)	182.194
MDL Number	MFCD04039343
SMILES	CCOC(=O)CC1=CC=CC=C1F
Synonym	ethyl 2-2-fluorophenyl acetate,ethyl 2-fluorophenylacetate,ethyl 2-fluorophenyl acetate,2-fluorophenylacetic acid ethyl ester,benzeneacetic acid, 2-fluoro-, ethyl ester,acmc-209uz7,ethyl 2-fluorobenzeneacetate
IUPAC Name	ethyl 2-(2-fluorophenyl)acetate
InChI Key	OFWMNCYZASDVSS-UHFFFAOYSA-N
Molecular Formula	C10H11FO2

1,101

3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid, 99%

CAS: 3919-74-2 Molecular Formula: C11H7ClFNO3 Molecular Weight (g/mol): 255.63 MDL Number: MFCD00055659 InChI Key: REIPZLFZMOQHJT-UHFFFAOYSA-N Synonym: 3-2-chloro-6-fluorophenyl-5-methylisoxazole-4-carboxylic acid,3-2-chloro-6-fluorophenyl-5-methyl-1,2-oxazole-4-carboxylic acid,fcimic acid,4-isoxazolecarboxylic acid, 3-2-chloro-6-fluorophenyl-5-methyl,3-2-chloro-6-fluorophenyl-5-methyl-4-isoxazolecarboxylic acid,3-2-dihloro-6-fluorophenyl-5-methylisoxazole-4-carboxylic acid,3-2-chloro-6-fluorophenyl-5-methyl-4-isoxazolecarboxic acid,pubchem8772,acmc-1ckjh,3-2-chloro-6-fluorophenyl 5-methylisoxazole-4-carboxylic acid PubChem CID: 77520 IUPAC Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid SMILES: CC1=C(C(O)=O)C(=NO1)C1=C(F)C=CC=C1Cl

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Specifications

PubChem CID	77520
CAS	3919-74-2
Molecular Weight (g/mol)	255.63
MDL Number	MFCD00055659
SMILES	CC1=C(C(O)=O)C(=NO1)C1=C(F)C=CC=C1Cl
Synonym	3-2-chloro-6-fluorophenyl-5-methylisoxazole-4-carboxylic acid,3-2-chloro-6-fluorophenyl-5-methyl-1,2-oxazole-4-carboxylic acid,fcimic acid,4-isoxazolecarboxylic acid, 3-2-chloro-6-fluorophenyl-5-methyl,3-2-chloro-6-fluorophenyl-5-methyl-4-isoxazolecarboxylic acid,3-2-dihloro-6-fluorophenyl-5-methylisoxazole-4-carboxylic acid,3-2-chloro-6-fluorophenyl-5-methyl-4-isoxazolecarboxic acid,pubchem8772,acmc-1ckjh,3-2-chloro-6-fluorophenyl 5-methylisoxazole-4-carboxylic acid
IUPAC Name	3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
InChI Key	REIPZLFZMOQHJT-UHFFFAOYSA-N
Molecular Formula	C11H7ClFNO3

1,102

n-(3-Formylphenyl)methanesulfonamide, ≥97%, Thermo Scientific™

CAS: 55512-05-5 Molecular Formula: C8H9NO3S Molecular Weight (g/mol): 199.22 MDL Number: MFCD03198179 InChI Key: CBDSSTWZEANOCR-UHFFFAOYSA-N Synonym: n-3-formylphenyl methanesulfonamide,3-methylsulfonamido benzaldehyde,methanesulfonamide, n-3-formylphenyl,3-methylsulfonyl amino benzaldehyde,n-3-formylphenyl methanesulphonamide,m-methylsulfonylamino benzaldehyde,3-methylsulfonylamino benzaldehyde,methanesulfonamide,n-3-formylphenyl,n-3-formyl-phenyl-methanesulfonamide PubChem CID: 2794787 IUPAC Name: N-(3-formylphenyl)methanesulfonamide SMILES: CS(=O)(=O)NC1=CC=CC(C=O)=C1

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Specifications

PubChem CID	2794787
CAS	55512-05-5
Molecular Weight (g/mol)	199.22
MDL Number	MFCD03198179
SMILES	CS(=O)(=O)NC1=CC=CC(C=O)=C1
Synonym	n-3-formylphenyl methanesulfonamide,3-methylsulfonamido benzaldehyde,methanesulfonamide, n-3-formylphenyl,3-methylsulfonyl amino benzaldehyde,n-3-formylphenyl methanesulphonamide,m-methylsulfonylamino benzaldehyde,3-methylsulfonylamino benzaldehyde,methanesulfonamide,n-3-formylphenyl,n-3-formyl-phenyl-methanesulfonamide
IUPAC Name	N-(3-formylphenyl)methanesulfonamide
InChI Key	CBDSSTWZEANOCR-UHFFFAOYSA-N
Molecular Formula	C8H9NO3S

1,103

1-Fluoro-2,4-dimethoxybenzene, 97%

CAS: 17715-70-7 Molecular Formula: C8H9FO2 Molecular Weight (g/mol): 156.156 MDL Number: MFCD00042265 InChI Key: QLJNEPOEZGFNEA-UHFFFAOYSA-N PubChem CID: 2758413 IUPAC Name: 1-fluoro-2,4-dimethoxybenzene SMILES: COC1=CC(=C(C=C1)F)OC

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Specifications

PubChem CID	2758413
CAS	17715-70-7
Molecular Weight (g/mol)	156.156
MDL Number	MFCD00042265
SMILES	COC1=CC(=C(C=C1)F)OC
IUPAC Name	1-fluoro-2,4-dimethoxybenzene
InChI Key	QLJNEPOEZGFNEA-UHFFFAOYSA-N
Molecular Formula	C8H9FO2

1,104

4-Benzyloxy-3-methoxybenzaldehyde, 98%

CAS: 2426-87-1 Molecular Formula: C15H14O3 Molecular Weight (g/mol): 242.27 MDL Number: MFCD00003365 InChI Key: JSHLOPGSDZTEGQ-UHFFFAOYSA-N Synonym: 4-benzyloxy-3-methoxybenzaldehyde,benzylvanillin,o-benzylvanillin,vanillin benzyl ether,unii-5knc2tsw9g,4-benzyloxy-3-methoxy-benzaldehyde,benzaldehyde, 3-methoxy-4-phenylmethoxy,5knc2tsw9g,3-methoxy-4-phenylmethoxy benzaldehyde PubChem CID: 75506 IUPAC Name: 3-methoxy-4-phenylmethoxybenzaldehyde SMILES: COC1=CC(C=O)=CC=C1OCC1=CC=CC=C1

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Specifications

PubChem CID	75506
CAS	2426-87-1
Molecular Weight (g/mol)	242.27
MDL Number	MFCD00003365
SMILES	COC1=CC(C=O)=CC=C1OCC1=CC=CC=C1
Synonym	4-benzyloxy-3-methoxybenzaldehyde,benzylvanillin,o-benzylvanillin,vanillin benzyl ether,unii-5knc2tsw9g,4-benzyloxy-3-methoxy-benzaldehyde,benzaldehyde, 3-methoxy-4-phenylmethoxy,5knc2tsw9g,3-methoxy-4-phenylmethoxy benzaldehyde
IUPAC Name	3-methoxy-4-phenylmethoxybenzaldehyde
InChI Key	JSHLOPGSDZTEGQ-UHFFFAOYSA-N
Molecular Formula	C15H14O3

1,105

2,4,5-Trimethoxybenzaldehyde, 98%

CAS: 4460-86-0 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.20 MDL Number: MFCD00003312 InChI Key: IAJBQAYHSQIQRE-UHFFFAOYSA-N Synonym: asaraldehyde,asaronaldehyde,asarylaldehyde,azarylaldehyde,benzaldehyde, 2,4,5-trimethoxy,gazarin,3,4,6-trimethoxybenzaldehyde,unii-ndu8j2q00d,2,4,5-trimethoxy-benzaldehyde,ccris 1296 PubChem CID: 20525 IUPAC Name: 2,4,5-trimethoxybenzaldehyde SMILES: COC1=CC(OC)=C(C=O)C=C1OC

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Specifications

PubChem CID	20525
CAS	4460-86-0
Molecular Weight (g/mol)	196.20
MDL Number	MFCD00003312
SMILES	COC1=CC(OC)=C(C=O)C=C1OC
Synonym	asaraldehyde,asaronaldehyde,asarylaldehyde,azarylaldehyde,benzaldehyde, 2,4,5-trimethoxy,gazarin,3,4,6-trimethoxybenzaldehyde,unii-ndu8j2q00d,2,4,5-trimethoxy-benzaldehyde,ccris 1296
IUPAC Name	2,4,5-trimethoxybenzaldehyde
InChI Key	IAJBQAYHSQIQRE-UHFFFAOYSA-N
Molecular Formula	C10H12O4

1,106

Dinonyl phthalate, mixture of isomers, 96%

CAS: 84-76-4 Molecular Formula: C26H42O4 Molecular Weight (g/mol): 418.62 MDL Number: MFCD00036237 InChI Key: DROMNWUQASBTFM-UHFFFAOYSA-N Synonym: dinonyl phthalate,dinonylphthalate,nonyl phthalate,di-n-nonyl phthalate,bisoflex dnp,unimoll dn,bisoflex 91,phthalic acid, dinonyl ester,1,2-benzenedicarboxylic acid, dinonyl ester,bisolflex 91 PubChem CID: 6787 IUPAC Name: dinonyl benzene-1,2-dicarboxylate SMILES: CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC

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Specifications

PubChem CID	6787
CAS	84-76-4
Molecular Weight (g/mol)	418.62
MDL Number	MFCD00036237
SMILES	CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC
Synonym	dinonyl phthalate,dinonylphthalate,nonyl phthalate,di-n-nonyl phthalate,bisoflex dnp,unimoll dn,bisoflex 91,phthalic acid, dinonyl ester,1,2-benzenedicarboxylic acid, dinonyl ester,bisolflex 91
IUPAC Name	dinonyl benzene-1,2-dicarboxylate
InChI Key	DROMNWUQASBTFM-UHFFFAOYSA-N
Molecular Formula	C26H42O4

1,107

4-Ethylbenzoic acid, 97%

CAS: 619-64-7 Molecular Formula: C₉H₁₀O₂ Molecular Weight (g/mol): 150.18 MDL Number: MFCD00002570 InChI Key: ZQVKTHRQIXSMGY-UHFFFAOYSA-N Synonym: benzoic acid, 4-ethyl,p-ethylbenzoic acid,4-ethyl benzoic acid,4-ethyl-benzoic acid,unii-9tkm8p0g6r,9tkm8p0g6r,p-ethylbenzoate,4-ethyl benzoate,4-ethylbenzoicacid,p-ethylbenzoic acid; PubChem CID: 12086 IUPAC Name: 4-ethylbenzoic acid SMILES: CCC1=CC=C(C=C1)C(=O)O

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Specifications

PubChem CID	12086
CAS	619-64-7
Molecular Weight (g/mol)	150.18
MDL Number	MFCD00002570
SMILES	CCC1=CC=C(C=C1)C(=O)O
Synonym	benzoic acid, 4-ethyl,p-ethylbenzoic acid,4-ethyl benzoic acid,4-ethyl-benzoic acid,unii-9tkm8p0g6r,9tkm8p0g6r,p-ethylbenzoate,4-ethyl benzoate,4-ethylbenzoicacid,p-ethylbenzoic acid;
IUPAC Name	4-ethylbenzoic acid
InChI Key	ZQVKTHRQIXSMGY-UHFFFAOYSA-N
Molecular Formula	C₉H₁₀O₂

1,108

3-Biphenylcarboxylic acid, 97%

CAS: 716-76-7 Molecular Formula: C₁₃H₁₀O₂ Molecular Weight (g/mol): 198.22 MDL Number: MFCD00045846 InChI Key: XNLWJFYYOIRPIO-UHFFFAOYSA-N Synonym: biphenyl-3-carboxylic acid,3-biphenylcarboxylic acid,1,1'-biphenyl-3-carboxylic acid,diphenyl-3-carboxylic acid,wln: qvr cr,3-biphenylcarboxylicacid,m-phenylbenzoic acid,3-phenyl benzoic acid PubChem CID: 12854 IUPAC Name: 3-phenylbenzoic acid SMILES: C1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)O

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Specifications

PubChem CID	12854
CAS	716-76-7
Molecular Weight (g/mol)	198.22
MDL Number	MFCD00045846
SMILES	C1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)O
Synonym	biphenyl-3-carboxylic acid,3-biphenylcarboxylic acid,1,1'-biphenyl-3-carboxylic acid,diphenyl-3-carboxylic acid,wln: qvr cr,3-biphenylcarboxylicacid,m-phenylbenzoic acid,3-phenyl benzoic acid
IUPAC Name	3-phenylbenzoic acid
InChI Key	XNLWJFYYOIRPIO-UHFFFAOYSA-N
Molecular Formula	C₁₃H₁₀O₂

1,109

4-Diethylaminobenzaldehyde, 97%

CAS: 120-21-8 Molecular Formula: C11H15NO Molecular Weight (g/mol): 177.247 MDL Number: MFCD00003382 InChI Key: MNFZZNNFORDXSV-UHFFFAOYSA-N Synonym: 4-diethylamino benzaldehyde,benzaldehyde, 4-diethylamino,p-diethylamino benzaldehyde,p-formyl-n,n-diethylaniline,4-diethylamino-benzaldehyde,benzaldehyde, p-diethylamino,unii-s640xwl10h,p-n,n-diethylaminobenzaldehyde,p-diethylaminobenzaldehyde,4-n,n-diethylamino benzaldehyde PubChem CID: 67114 ChEBI: CHEBI:86194 IUPAC Name: 4-(diethylamino)benzaldehyde SMILES: CCN(CC)C1=CC=C(C=C1)C=O

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Specifications

PubChem CID	67114
CAS	120-21-8
Molecular Weight (g/mol)	177.247
ChEBI	CHEBI:86194
MDL Number	MFCD00003382
SMILES	CCN(CC)C1=CC=C(C=C1)C=O
Synonym	4-diethylamino benzaldehyde,benzaldehyde, 4-diethylamino,p-diethylamino benzaldehyde,p-formyl-n,n-diethylaniline,4-diethylamino-benzaldehyde,benzaldehyde, p-diethylamino,unii-s640xwl10h,p-n,n-diethylaminobenzaldehyde,p-diethylaminobenzaldehyde,4-n,n-diethylamino benzaldehyde
IUPAC Name	4-(diethylamino)benzaldehyde
InChI Key	MNFZZNNFORDXSV-UHFFFAOYSA-N
Molecular Formula	C11H15NO

1,110

4-(Trifluoromethylthio)benzaldehyde, 90+%

CAS: 4021-50-5 Molecular Formula: C8H5F3OS Molecular Weight (g/mol): 206.18 MDL Number: MFCD00129191 InChI Key: OPAXHVNZGUGCKW-UHFFFAOYSA-N Synonym: 4-trifluoromethylthio benzaldehyde,4-trifluoromethyl thio benzaldehyde,4-trifluoromethyl sulfanyl benzaldehyde,benzaldehyde, 4-trifluoromethyl thio,acmc-1agrc,ksc582m6p,4-trifluomethylthio benzoldehyde,rarechem gt hw 0381 PubChem CID: 2777846 IUPAC Name: 4-(trifluoromethylsulfanyl)benzaldehyde SMILES: FC(F)(F)SC1=CC=C(C=O)C=C1

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Specifications

PubChem CID	2777846
CAS	4021-50-5
Molecular Weight (g/mol)	206.18
MDL Number	MFCD00129191
SMILES	FC(F)(F)SC1=CC=C(C=O)C=C1
Synonym	4-trifluoromethylthio benzaldehyde,4-trifluoromethyl thio benzaldehyde,4-trifluoromethyl sulfanyl benzaldehyde,benzaldehyde, 4-trifluoromethyl thio,acmc-1agrc,ksc582m6p,4-trifluomethylthio benzoldehyde,rarechem gt hw 0381
IUPAC Name	4-(trifluoromethylsulfanyl)benzaldehyde
InChI Key	OPAXHVNZGUGCKW-UHFFFAOYSA-N
Molecular Formula	C8H5F3OS

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