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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5,311 – 5,325 of 75,002 results

5,311

(Isocyanoimino)triphenylphosphorane 95.0+%, TCI America™

CAS: 73789-56-7 Molecular Formula: C19H15N2P Molecular Weight (g/mol): 302.32 MDL Number: MFCD09038528 InChI Key: NIDTXBFHPXMXTR-UHFFFAOYSA-N Synonym: isocyanoimino triphenylphosphorane,isocyanoiminotriphenylphosphorane,isocyano triphenyl-??-phosphanylidene amine,cnnpph3;,ncnpph3;,ph3pnnc;,acmc-209os9,cn-n=pph3;,n-isocyaniminotriphenylphosphorane,n-isocyanoiminotriphenylphosphorane PubChem CID: 11266621 IUPAC Name: isocyano(triphenyl-λ⁵-phosphanylidene)amine SMILES: [C-]#[N+]N=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	11266621
CAS	73789-56-7
Molecular Weight (g/mol)	302.32
MDL Number	MFCD09038528
SMILES	[C-]#[N+]N=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	isocyanoimino triphenylphosphorane,isocyanoiminotriphenylphosphorane,isocyano triphenyl-??-phosphanylidene amine,cnnpph3;,ncnpph3;,ph3pnnc;,acmc-209os9,cn-n=pph3;,n-isocyaniminotriphenylphosphorane,n-isocyanoiminotriphenylphosphorane
IUPAC Name	isocyano(triphenyl-λ⁵-phosphanylidene)amine
InChI Key	NIDTXBFHPXMXTR-UHFFFAOYSA-N
Molecular Formula	C19H15N2P

5,312

m-(4-Fluorophenoxy)toluene 97.0+%, TCI America™

CAS: 1514-26-7 Molecular Formula: C13H11FO Molecular Weight (g/mol): 202.228 MDL Number: MFCD01321168 InChI Key: APVQRVSBMIDSFS-UHFFFAOYSA-N Synonym: 4-Fluoro-3′C-methyldiphenyl Ether, 4-Fluorophenyl m-Tolyl Ether PubChem CID: 20068801 IUPAC Name: 1-fluoro-4-(3-methylphenoxy)benzene SMILES: CC1=CC(=CC=C1)OC2=CC=C(C=C2)F

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Specifications

PubChem CID	20068801
CAS	1514-26-7
Molecular Weight (g/mol)	202.228
MDL Number	MFCD01321168
SMILES	CC1=CC(=CC=C1)OC2=CC=C(C=C2)F
Synonym	4-Fluoro-3′C-methyldiphenyl Ether, 4-Fluorophenyl m-Tolyl Ether
IUPAC Name	1-fluoro-4-(3-methylphenoxy)benzene
InChI Key	APVQRVSBMIDSFS-UHFFFAOYSA-N
Molecular Formula	C13H11FO

5,313

4-Methoxy-2-methyldiphenylamine 97.0+%, TCI America™

CAS: 41317-15-1 Molecular Formula: C14H15NO Molecular Weight (g/mol): 213.28 MDL Number: MFCD00272619 InChI Key: CYMPUOGZUXAIMY-UHFFFAOYSA-N PubChem CID: 162461 IUPAC Name: 4-methoxy-2-methyl-N-phenylaniline SMILES: CC1=C(C=CC(=C1)OC)NC2=CC=CC=C2

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Specifications

PubChem CID	162461
CAS	41317-15-1
Molecular Weight (g/mol)	213.28
MDL Number	MFCD00272619
SMILES	CC1=C(C=CC(=C1)OC)NC2=CC=CC=C2
IUPAC Name	4-methoxy-2-methyl-N-phenylaniline
InChI Key	CYMPUOGZUXAIMY-UHFFFAOYSA-N
Molecular Formula	C14H15NO

5,314

2-Methoxyphenoxyacetic Acid 98.0+%, TCI America™

CAS: 1878-85-9 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.175 MDL Number: MFCD00014352 InChI Key: IHONYPFTXGQWAX-UHFFFAOYSA-N Synonym: 2-methoxyphenoxy acetic acid,2-2-methoxyphenoxy acetic acid,2-methoxyphenoxyacetic acid,guaiacoxyacetic acid,acetic acid, 2-methoxyphenoxy,o-methoxyphenoxy acetic acid,unii-7xvz1x365a,acide o-methoxyphenoxyacetique french,o-methoxy phenoxyacetic acid,acetic acid, o-methoxyphenoxy PubChem CID: 15882 IUPAC Name: 2-(2-methoxyphenoxy)acetic acid SMILES: COC1=CC=CC=C1OCC(=O)O

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Specifications

PubChem CID	15882
CAS	1878-85-9
Molecular Weight (g/mol)	182.175
MDL Number	MFCD00014352
SMILES	COC1=CC=CC=C1OCC(=O)O
Synonym	2-methoxyphenoxy acetic acid,2-2-methoxyphenoxy acetic acid,2-methoxyphenoxyacetic acid,guaiacoxyacetic acid,acetic acid, 2-methoxyphenoxy,o-methoxyphenoxy acetic acid,unii-7xvz1x365a,acide o-methoxyphenoxyacetique french,o-methoxy phenoxyacetic acid,acetic acid, o-methoxyphenoxy
IUPAC Name	2-(2-methoxyphenoxy)acetic acid
InChI Key	IHONYPFTXGQWAX-UHFFFAOYSA-N
Molecular Formula	C9H10O4

5,315

Methyl 2-Amino-4-(trifluoromethyl)benzoate 98.0+%, TCI America™

CAS: 61500-87-6 Molecular Formula: C9H8F3NO2 Molecular Weight (g/mol): 219.163 MDL Number: MFCD08543939 InChI Key: DZICUHOFOOPVFM-UHFFFAOYSA-N Synonym: 2-Amino-4-(trifluoromethyl)benzoic Acid Methyl Ester PubChem CID: 12601886 IUPAC Name: methyl 2-amino-4-(trifluoromethyl)benzoate SMILES: COC(=O)C1=C(C=C(C=C1)C(F)(F)F)N

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Specifications

PubChem CID	12601886
CAS	61500-87-6
Molecular Weight (g/mol)	219.163
MDL Number	MFCD08543939
SMILES	COC(=O)C1=C(C=C(C=C1)C(F)(F)F)N
Synonym	2-Amino-4-(trifluoromethyl)benzoic Acid Methyl Ester
IUPAC Name	methyl 2-amino-4-(trifluoromethyl)benzoate
InChI Key	DZICUHOFOOPVFM-UHFFFAOYSA-N
Molecular Formula	C9H8F3NO2

5,316

2-Iodobiphenyl 98.0+%, TCI America™

CAS: 2113-51-1 Molecular Formula: C12H9I Molecular Weight (g/mol): 280.108 MDL Number: MFCD00039396 InChI Key: QFUYDAGNUJWBSM-UHFFFAOYSA-N Synonym: 2-iodobiphenyl,2-iodo-1,1'-biphenyl,o-iodobiphenyl,1,1'-biphenyl, 2-iodo,o-phenyliodobenzene,2-iodo-biphenyl,biphenyl, 2-iodo,2-iodo-1-phenylbenzene,1-iodo-2-phenyl-benzene,1,1'-biphenyl, iodo PubChem CID: 75025 IUPAC Name: 1-iodo-2-phenylbenzene SMILES: C1=CC=C(C=C1)C2=CC=CC=C2I

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Specifications

PubChem CID	75025
CAS	2113-51-1
Molecular Weight (g/mol)	280.108
MDL Number	MFCD00039396
SMILES	C1=CC=C(C=C1)C2=CC=CC=C2I
Synonym	2-iodobiphenyl,2-iodo-1,1'-biphenyl,o-iodobiphenyl,1,1'-biphenyl, 2-iodo,o-phenyliodobenzene,2-iodo-biphenyl,biphenyl, 2-iodo,2-iodo-1-phenylbenzene,1-iodo-2-phenyl-benzene,1,1'-biphenyl, iodo
IUPAC Name	1-iodo-2-phenylbenzene
InChI Key	QFUYDAGNUJWBSM-UHFFFAOYSA-N
Molecular Formula	C12H9I

5,317

(4-Methylphenyl)(2,4,6-trimethylphenyl)iodonium Trifluoromethanesulfonate 98.0+%, TCI America™

CAS: 1204518-02-4 Molecular Formula: C17H18F3IO3S Molecular Weight (g/mol): 486.288 MDL Number: MFCD20264882 InChI Key: KVLSSMIQFXWHII-UHFFFAOYSA-M Synonym: Mesityl(p-tolyl)iodonium Triflate PubChem CID: 71311054 IUPAC Name: (4-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;trifluoromethanesulfonate SMILES: CC1=CC=C(C=C1)[I+]C2=C(C=C(C=C2C)C)C.C(F)(F)(F)S(=O)(=O)[O-]

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Specifications

PubChem CID	71311054
CAS	1204518-02-4
Molecular Weight (g/mol)	486.288
MDL Number	MFCD20264882
SMILES	CC1=CC=C(C=C1)[I+]C2=C(C=C(C=C2C)C)C.C(F)(F)(F)S(=O)(=O)[O-]
Synonym	Mesityl(p-tolyl)iodonium Triflate
IUPAC Name	(4-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;trifluoromethanesulfonate
InChI Key	KVLSSMIQFXWHII-UHFFFAOYSA-M
Molecular Formula	C17H18F3IO3S

5,318

2,2'-Thiodiethylene Bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate] 98.0+%, TCI America™

CAS: 41484-35-9 Molecular Formula: C38H58O6S Molecular Weight (g/mol): 642.94 MDL Number: MFCD00059346 InChI Key: VFBJXXJYHWLXRM-UHFFFAOYSA-N PubChem CID: 64883 IUPAC Name: 2-[(2-{[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]oxy}ethyl)sulfanyl]ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate SMILES: CC(C)(C)C1=CC(CCC(=O)OCCSCCOC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C

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Specifications

PubChem CID	64883
CAS	41484-35-9
Molecular Weight (g/mol)	642.94
MDL Number	MFCD00059346
SMILES	CC(C)(C)C1=CC(CCC(=O)OCCSCCOC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C
IUPAC Name	2-[(2-{[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]oxy}ethyl)sulfanyl]ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate
InChI Key	VFBJXXJYHWLXRM-UHFFFAOYSA-N
Molecular Formula	C38H58O6S

5,319

4-Methylbenzylamine 98.0+%, TCI America™

CAS: 104-84-7 Molecular Formula: C8H11N Molecular Weight (g/mol): 121.183 MDL Number: MFCD00008123 InChI Key: HMTSWYPNXFHGEP-UHFFFAOYSA-N Synonym: 4-methylbenzylamine,benzenemethanamine, 4-methyl,p-methylbenzylamine,p-tolylmethanamine,4-methylphenyl methanamine,benzylamine, p-methyl,p-xylylamine,4-methybenzylamine,1-4-methylphenyl methanamine,4-methyl-benzylamine PubChem CID: 66035 IUPAC Name: (4-methylphenyl)methanamine SMILES: CC1=CC=C(C=C1)CN

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Specifications

PubChem CID	66035
CAS	104-84-7
Molecular Weight (g/mol)	121.183
MDL Number	MFCD00008123
SMILES	CC1=CC=C(C=C1)CN
Synonym	4-methylbenzylamine,benzenemethanamine, 4-methyl,p-methylbenzylamine,p-tolylmethanamine,4-methylphenyl methanamine,benzylamine, p-methyl,p-xylylamine,4-methybenzylamine,1-4-methylphenyl methanamine,4-methyl-benzylamine
IUPAC Name	(4-methylphenyl)methanamine
InChI Key	HMTSWYPNXFHGEP-UHFFFAOYSA-N
Molecular Formula	C8H11N

5,320

2,4-Bis(alpha,alpha-dimethylbenzyl)phenol 97.0+%, TCI America™

CAS: 2772-45-4 Molecular Formula: C24H26O Molecular Weight (g/mol): 330.471 InChI Key: FMUYQRFTLHAARI-UHFFFAOYSA-N Synonym: 2,4-Di-alpha-cumylphenol PubChem CID: 76013 IUPAC Name: 2,4-bis(2-phenylpropan-2-yl)phenol SMILES: CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2)O)C(C)(C)C3=CC=CC=C3

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Specifications

PubChem CID	76013
CAS	2772-45-4
Molecular Weight (g/mol)	330.471
SMILES	CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2)O)C(C)(C)C3=CC=CC=C3
Synonym	2,4-Di-alpha-cumylphenol
IUPAC Name	2,4-bis(2-phenylpropan-2-yl)phenol
InChI Key	FMUYQRFTLHAARI-UHFFFAOYSA-N
Molecular Formula	C24H26O

5,321

4-(Bromomethyl)phenylacetic Acid 98.0+%, TCI America™

CAS: 13737-36-5 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00010632 InChI Key: WCOCCXZFEJGHTC-UHFFFAOYSA-N Synonym: 4-bromomethyl phenylacetic acid,4-bromomethylphenylacetic acid,2-4-bromomethyl phenyl acetic acid,pam acid,br-pam-linker,4-carboxymethyl benzyl bromide,4-bromomethyl phenyl acetic acid,4-bromomethyl phenylaceticacid PubChem CID: 4519056 IUPAC Name: 2-[4-(bromomethyl)phenyl]acetic acid SMILES: C1=CC(=CC=C1CC(=O)O)CBr

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Specifications

PubChem CID	4519056
CAS	13737-36-5
Molecular Weight (g/mol)	229.073
MDL Number	MFCD00010632
SMILES	C1=CC(=CC=C1CC(=O)O)CBr
Synonym	4-bromomethyl phenylacetic acid,4-bromomethylphenylacetic acid,2-4-bromomethyl phenyl acetic acid,pam acid,br-pam-linker,4-carboxymethyl benzyl bromide,4-bromomethyl phenyl acetic acid,4-bromomethyl phenylaceticacid
IUPAC Name	2-[4-(bromomethyl)phenyl]acetic acid
InChI Key	WCOCCXZFEJGHTC-UHFFFAOYSA-N
Molecular Formula	C9H9BrO2

5,322

3-Bromo-4-fluorotoluene 98.0+%, TCI America™

CAS: 452-62-0 Molecular Formula: C7H6BrF Molecular Weight (g/mol): 189.03 MDL Number: MFCD00040827 InChI Key: QLRKALMVPCQTMU-UHFFFAOYSA-N Synonym: 3-bromo-4-fluorotoluene,benzene, 2-bromo-1-fluoro-4-methyl,3-bromo-4-fluoro toluene,2-bromo-1-fluoro-4-methyl-benzene,2-brom-1-fluor-4-methylbenzol,pubchem1600,4-fluoro-3-bromotoluene,acmc-1aei5,3-bromo-4-fluoro-toluene,ksc237s0d PubChem CID: 96745 IUPAC Name: 2-bromo-1-fluoro-4-methylbenzene SMILES: CC1=CC=C(F)C(Br)=C1

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Specifications

PubChem CID	96745
CAS	452-62-0
Molecular Weight (g/mol)	189.03
MDL Number	MFCD00040827
SMILES	CC1=CC=C(F)C(Br)=C1
Synonym	3-bromo-4-fluorotoluene,benzene, 2-bromo-1-fluoro-4-methyl,3-bromo-4-fluoro toluene,2-bromo-1-fluoro-4-methyl-benzene,2-brom-1-fluor-4-methylbenzol,pubchem1600,4-fluoro-3-bromotoluene,acmc-1aei5,3-bromo-4-fluoro-toluene,ksc237s0d
IUPAC Name	2-bromo-1-fluoro-4-methylbenzene
InChI Key	QLRKALMVPCQTMU-UHFFFAOYSA-N
Molecular Formula	C7H6BrF

5,323

2,3-Dichlorobenzoyl Chloride 98.0+%, TCI America™

CAS: 2905-60-4 Molecular Formula: C7H3Cl3O Molecular Weight (g/mol): 209.45 MDL Number: MFCD00035937 InChI Key: YBONBWJSFMTXLE-UHFFFAOYSA-N Synonym: benzoyl chloride, dichloro,dichlorobenzoyl chloride,benzoyl chloride, 2,3-dichloro,unii-i50f21ps1n,2,3-dichlorobenzoylchloride,acmc-1cfin,2,3-dichlorobenzoyl-chloride,ksc202s8t,2, 3-dichlorobenzoyl chloride,2,3-dcoc PubChem CID: 17944 IUPAC Name: 2,3-dichlorobenzoyl chloride SMILES: ClC(=O)C1=CC=CC(Cl)=C1Cl

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Specifications

PubChem CID	17944
CAS	2905-60-4
Molecular Weight (g/mol)	209.45
MDL Number	MFCD00035937
SMILES	ClC(=O)C1=CC=CC(Cl)=C1Cl
Synonym	benzoyl chloride, dichloro,dichlorobenzoyl chloride,benzoyl chloride, 2,3-dichloro,unii-i50f21ps1n,2,3-dichlorobenzoylchloride,acmc-1cfin,2,3-dichlorobenzoyl-chloride,ksc202s8t,2, 3-dichlorobenzoyl chloride,2,3-dcoc
IUPAC Name	2,3-dichlorobenzoyl chloride
InChI Key	YBONBWJSFMTXLE-UHFFFAOYSA-N
Molecular Formula	C7H3Cl3O

5,324

5-Bromo-2-chlorobenzaldehyde 98.0+%, TCI America™

CAS: 189628-37-3 Molecular Formula: C7H4BrClO Molecular Weight (g/mol): 219.46 MDL Number: MFCD08445659 InChI Key: DPKKRQAEYWOISP-UHFFFAOYSA-N PubChem CID: 10608925 IUPAC Name: 5-bromo-2-chlorobenzaldehyde SMILES: ClC1=C(C=O)C=C(Br)C=C1

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Specifications

PubChem CID	10608925
CAS	189628-37-3
Molecular Weight (g/mol)	219.46
MDL Number	MFCD08445659
SMILES	ClC1=C(C=O)C=C(Br)C=C1
IUPAC Name	5-bromo-2-chlorobenzaldehyde
InChI Key	DPKKRQAEYWOISP-UHFFFAOYSA-N
Molecular Formula	C7H4BrClO

5,325

2-Bromo-4-nitroaniline 98.0+%, TCI America™

CAS: 13296-94-1 Molecular Formula: C6H5BrN2O2 Molecular Weight (g/mol): 217.022 MDL Number: MFCD00025152 InChI Key: CGPPWNTVTNCHDO-UHFFFAOYSA-N PubChem CID: 25840 IUPAC Name: 2-bromo-4-nitroaniline SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Br)N

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Specifications

PubChem CID	25840
CAS	13296-94-1
Molecular Weight (g/mol)	217.022
MDL Number	MFCD00025152
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])Br)N
IUPAC Name	2-bromo-4-nitroaniline
InChI Key	CGPPWNTVTNCHDO-UHFFFAOYSA-N
Molecular Formula	C6H5BrN2O2

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Benzene and substituted derivatives

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