Nitrobenzenes

Organic compounds that consist of a phenyl group with a nitro functional group substitution in the following structure: C6H5NO2; a nitro group has a nitrogen atom bonded to two oxygen groups in a single and a double bond.

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1-Nitro-2-(n-octyloxy)benzene, 98%

CAS: 37682-29-4 Molecular Formula: C14H21NO3 Molecular Weight (g/mol): 251.326 MDL Number: MFCD00014693 InChI Key: CXVOIIMJZFREMM-UHFFFAOYSA-N Synonym: 2-nitrophenyl octyl ether,1-nitro-2-octyloxy benzene,octyl o-nitrophenyl ether,2-nitrophenyl n-octyl ether,2-octyloxy nitrobenzene,benzene, 1-nitro-2-octyloxy,1-2-nitrophenoxy octane,1-nitro-2-octyloxybenzene,2-n-octyloxy nitrobenzene,npoe PubChem CID: 169952 IUPAC Name: 1-nitro-2-octoxybenzene SMILES: CCCCCCCCOC1=CC=CC=C1[N+](=O)[O-]

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PubChem CID	169952
CAS	37682-29-4
Molecular Weight (g/mol)	251.326
MDL Number	MFCD00014693
SMILES	CCCCCCCCOC1=CC=CC=C1[N+](=O)[O-]
Synonym	2-nitrophenyl octyl ether,1-nitro-2-octyloxy benzene,octyl o-nitrophenyl ether,2-nitrophenyl n-octyl ether,2-octyloxy nitrobenzene,benzene, 1-nitro-2-octyloxy,1-2-nitrophenoxy octane,1-nitro-2-octyloxybenzene,2-n-octyloxy nitrobenzene,npoe
IUPAC Name	1-nitro-2-octoxybenzene
InChI Key	CXVOIIMJZFREMM-UHFFFAOYSA-N
Molecular Formula	C14H21NO3

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2-Bromo-4-nitro-1-(trifluoromethoxy)benzene, 98%

CAS: 200958-40-3 Molecular Formula: C7H3BrF3NO3 Molecular Weight (g/mol): 286.00 MDL Number: MFCD04973758 InChI Key: LVTAFGFYMLODQP-UHFFFAOYSA-N PubChem CID: 24721641 IUPAC Name: 2-bromo-4-nitro-1-(trifluoromethoxy)benzene SMILES: [O-][N+](=O)C1=CC(Br)=C(OC(F)(F)F)C=C1

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PubChem CID	24721641
CAS	200958-40-3
Molecular Weight (g/mol)	286.00
MDL Number	MFCD04973758
SMILES	[O-][N+](=O)C1=CC(Br)=C(OC(F)(F)F)C=C1
IUPAC Name	2-bromo-4-nitro-1-(trifluoromethoxy)benzene
InChI Key	LVTAFGFYMLODQP-UHFFFAOYSA-N
Molecular Formula	C7H3BrF3NO3

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1-Difluoromethoxy-3-nitrobenzene, 98%, Thermo Scientific Chemicals

CAS: 22236-07-3 Molecular Formula: C7H5F2NO3 Molecular Weight (g/mol): 189.12 MDL Number: MFCD03407974 InChI Key: NYVCZALWNPMMSQ-UHFFFAOYSA-N Synonym: 1-difluoromethoxy-3-nitrobenzene,3-difluoromethoxy nitrobenzene,benzene, 1-difluoromethoxy-3-nitro,acmc-1coex,nyvczalwnpmmsq-uhfffaoysa,difluoromethyl 3-nitrophenyl ether,3-difluoromethoxy-1-nitrobenzene,3-nitro-1-difluoromethoxy benzene,3-nitro-alpha,alpha-difluoroanisole,alpha,alpha-difluoro-3-nitroanisole PubChem CID: 2774117 IUPAC Name: 1-(difluoromethoxy)-3-nitrobenzene SMILES: [O-][N+](=O)C1=CC=CC(OC(F)F)=C1

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PubChem CID	2774117
CAS	22236-07-3
Molecular Weight (g/mol)	189.12
MDL Number	MFCD03407974
SMILES	[O-][N+](=O)C1=CC=CC(OC(F)F)=C1
Synonym	1-difluoromethoxy-3-nitrobenzene,3-difluoromethoxy nitrobenzene,benzene, 1-difluoromethoxy-3-nitro,acmc-1coex,nyvczalwnpmmsq-uhfffaoysa,difluoromethyl 3-nitrophenyl ether,3-difluoromethoxy-1-nitrobenzene,3-nitro-1-difluoromethoxy benzene,3-nitro-alpha,alpha-difluoroanisole,alpha,alpha-difluoro-3-nitroanisole
IUPAC Name	1-(difluoromethoxy)-3-nitrobenzene
InChI Key	NYVCZALWNPMMSQ-UHFFFAOYSA-N
Molecular Formula	C7H5F2NO3

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1-(2-Bromoethoxy)-3-nitrobenzene, 97%, Thermo Scientific™

CAS: 13831-59-9 Molecular Formula: C8H8BrNO3 Molecular Weight (g/mol): 246.06 MDL Number: MFCD07783648 InChI Key: QBUSKXLDUNPEMZ-UHFFFAOYSA-N Synonym: 1-2-bromoethoxy-3-nitrobenzene,benzene,1-2-bromoethoxy-3-nitro,2-bromoethyl 3-nitrophenyl ether,acmc-209chl,2-bromo-3'-nitrophenetole,2-3-nitrophenoxy ethyl bromide,3-2-bromoethoxy-1-nitrobenzene PubChem CID: 269626 IUPAC Name: 1-(2-bromoethoxy)-3-nitrobenzene SMILES: [O-][N+](=O)C1=CC=CC(OCCBr)=C1

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PubChem CID	269626
CAS	13831-59-9
Molecular Weight (g/mol)	246.06
MDL Number	MFCD07783648
SMILES	[O-][N+](=O)C1=CC=CC(OCCBr)=C1
Synonym	1-2-bromoethoxy-3-nitrobenzene,benzene,1-2-bromoethoxy-3-nitro,2-bromoethyl 3-nitrophenyl ether,acmc-209chl,2-bromo-3'-nitrophenetole,2-3-nitrophenoxy ethyl bromide,3-2-bromoethoxy-1-nitrobenzene
IUPAC Name	1-(2-bromoethoxy)-3-nitrobenzene
InChI Key	QBUSKXLDUNPEMZ-UHFFFAOYSA-N
Molecular Formula	C8H8BrNO3

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1-(3-bromopropoxy)-2-nitrobenzene, 90+%, Thermo Scientific™

CAS: 104147-69-5 MDL Number: MFCD00596660 InChI Key: HPZBIRIHQKSGGT-UHFFFAOYSA-N Synonym: 1-3-bromopropoxy-2-nitrobenzene,1-3-bromo-propoxy-2-nitro-benzene PubChem CID: 7172300 IUPAC Name: 1-(3-bromopropoxy)-2-nitrobenzene SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])OCCCBr

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PubChem CID	7172300
CAS	104147-69-5
MDL Number	MFCD00596660
SMILES	C1=CC=C(C(=C1)[N+](=O)[O-])OCCCBr
Synonym	1-3-bromopropoxy-2-nitrobenzene,1-3-bromo-propoxy-2-nitro-benzene
IUPAC Name	1-(3-bromopropoxy)-2-nitrobenzene
InChI Key	HPZBIRIHQKSGGT-UHFFFAOYSA-N

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1-(4-bromobutoxy)-4-nitrobenzene, 85%, Thermo Scientific™

CAS: 55502-03-9 Molecular Formula: C₁₀H₁₂BrNO₃ Molecular Weight (g/mol): 274.11 MDL Number: MFCD00980317 InChI Key: DBRBCFJUEVSKGZ-UHFFFAOYSA-N Synonym: 1-4-bromobutoxy-4-nitrobenzene,4-nitrophenoxybutyl bromide PubChem CID: 2063669 IUPAC Name: 1-(4-bromobutoxy)-4-nitrobenzene SMILES: C1=CC(=CC=C1[N+](=O)[O-])OCCCCBr

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PubChem CID	2063669
CAS	55502-03-9
Molecular Weight (g/mol)	274.11
MDL Number	MFCD00980317
SMILES	C1=CC(=CC=C1[N+](=O)[O-])OCCCCBr
Synonym	1-4-bromobutoxy-4-nitrobenzene,4-nitrophenoxybutyl bromide
IUPAC Name	1-(4-bromobutoxy)-4-nitrobenzene
InChI Key	DBRBCFJUEVSKGZ-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₂BrNO₃

1-Nitro-3-(trifluoromethoxy)benzene 98.0+%, TCI America™

CAS: 2995-45-1 Molecular Formula: C7H4F3NO3 Molecular Weight (g/mol): 207.11 MDL Number: MFCD00041011 InChI Key: QBWJNDOQIAARBT-UHFFFAOYSA-N PubChem CID: 2777297 IUPAC Name: 1-nitro-3-(trifluoromethoxy)benzene SMILES: [O-][N+](=O)C1=CC(OC(F)(F)F)=CC=C1

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PubChem CID	2777297
CAS	2995-45-1
Molecular Weight (g/mol)	207.11
MDL Number	MFCD00041011
SMILES	[O-][N+](=O)C1=CC(OC(F)(F)F)=CC=C1
IUPAC Name	1-nitro-3-(trifluoromethoxy)benzene
InChI Key	QBWJNDOQIAARBT-UHFFFAOYSA-N
Molecular Formula	C7H4F3NO3

1-Nitro-4-(trifluoromethoxy)benzene 96.0+%, TCI America™

CAS: 713-65-5 Molecular Formula: C7H4F3NO3 Molecular Weight (g/mol): 207.11 MDL Number: MFCD00040302 InChI Key: UBEIKVUMDBCCRW-UHFFFAOYSA-N Synonym: 1-nitro-4-trifluoromethoxy benzene,4-trifluoromethoxy nitrobenzene,p-nitrotrifluoromethoxybenzene,4-nitro-1-trifluoromethoxybenzene,1-nitro-4-trifluoromethoxy-benzene,p-nitrotrifluoromethoxybenzen,benzene, 1-nitro-4-trifluoromethoxy,alpha,alpha,alpha-trifluoro-4'-nitroanisole,p-nitrotrifluoroanisole PubChem CID: 522405 IUPAC Name: 1-nitro-4-(trifluoromethoxy)benzene SMILES: [O-][N+](=O)C1=CC=C(OC(F)(F)F)C=C1

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PubChem CID	522405
CAS	713-65-5
Molecular Weight (g/mol)	207.11
MDL Number	MFCD00040302
SMILES	[O-][N+](=O)C1=CC=C(OC(F)(F)F)C=C1
Synonym	1-nitro-4-trifluoromethoxy benzene,4-trifluoromethoxy nitrobenzene,p-nitrotrifluoromethoxybenzene,4-nitro-1-trifluoromethoxybenzene,1-nitro-4-trifluoromethoxy-benzene,p-nitrotrifluoromethoxybenzen,benzene, 1-nitro-4-trifluoromethoxy,alpha,alpha,alpha-trifluoro-4'-nitroanisole,p-nitrotrifluoroanisole
IUPAC Name	1-nitro-4-(trifluoromethoxy)benzene
InChI Key	UBEIKVUMDBCCRW-UHFFFAOYSA-N
Molecular Formula	C7H4F3NO3

1-Heptyloxy-4-nitrobenzene, TCI America™

CAS: 13565-36-1 Molecular Formula: C13H19NO3 Molecular Weight (g/mol): 237.299 MDL Number: MFCD00024692 InChI Key: AVDKYVSWJDZALX-UHFFFAOYSA-N Synonym: Heptyl 4-Nitrophenyl Ether PubChem CID: 139499 IUPAC Name: 1-heptoxy-4-nitrobenzene SMILES: CCCCCCCOC1=CC=C(C=C1)[N+](=O)[O-]

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PubChem CID	139499
CAS	13565-36-1
Molecular Weight (g/mol)	237.299
MDL Number	MFCD00024692
SMILES	CCCCCCCOC1=CC=C(C=C1)[N+](=O)[O-]
Synonym	Heptyl 4-Nitrophenyl Ether
IUPAC Name	1-heptoxy-4-nitrobenzene
InChI Key	AVDKYVSWJDZALX-UHFFFAOYSA-N
Molecular Formula	C13H19NO3

1-Dodecyloxy-4-nitrobenzene 98.0+%, TCI America™

CAS: 65039-18-1 Molecular Formula: C18H29NO3 Molecular Weight (g/mol): 307.434 MDL Number: MFCD00024678 InChI Key: VZOAOBWVYOLSII-UHFFFAOYSA-N Synonym: Dodecyl 4-Nitrophenyl Ether, 4-Dodecyloxynitrobenzene, Lauryl 4-Nitrophenyl Ether, 1-Lauryloxy-4-nitrobenzene PubChem CID: 144094 IUPAC Name: 1-dodecoxy-4-nitrobenzene SMILES: CCCCCCCCCCCCOC1=CC=C(C=C1)[N+](=O)[O-]

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PubChem CID	144094
CAS	65039-18-1
Molecular Weight (g/mol)	307.434
MDL Number	MFCD00024678
SMILES	CCCCCCCCCCCCOC1=CC=C(C=C1)[N+](=O)[O-]
Synonym	Dodecyl 4-Nitrophenyl Ether, 4-Dodecyloxynitrobenzene, Lauryl 4-Nitrophenyl Ether, 1-Lauryloxy-4-nitrobenzene
IUPAC Name	1-dodecoxy-4-nitrobenzene
InChI Key	VZOAOBWVYOLSII-UHFFFAOYSA-N
Molecular Formula	C18H29NO3

1-Butoxy-4-nitrobenzene 99.0+%, TCI America™

CAS: 7244-78-2 Molecular Formula: C10H13NO3 Molecular Weight (g/mol): 195.22 MDL Number: MFCD00024688 InChI Key: XCCDVVZINDJESR-UHFFFAOYSA-N Synonym: Butyl 4-Nitrophenyl Ether PubChem CID: 81658 IUPAC Name: 1-butoxy-4-nitrobenzene SMILES: CCCCOC1=CC=C(C=C1)[N+]([O-])=O

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PubChem CID	81658
CAS	7244-78-2
Molecular Weight (g/mol)	195.22
MDL Number	MFCD00024688
SMILES	CCCCOC1=CC=C(C=C1)[N+]([O-])=O
Synonym	Butyl 4-Nitrophenyl Ether
IUPAC Name	1-butoxy-4-nitrobenzene
InChI Key	XCCDVVZINDJESR-UHFFFAOYSA-N
Molecular Formula	C10H13NO3

1-Isopropoxy-4-nitrobenzene 98.0+%, TCI America™

CAS: 26455-31-2 Molecular Formula: C9H11NO3 Molecular Weight (g/mol): 181.191 MDL Number: MFCD01327671 InChI Key: GSOJVDNLACMALV-UHFFFAOYSA-N Synonym: Isopropyl 4-Nitrophenyl Ether PubChem CID: 12625304 IUPAC Name: 1-nitro-4-propan-2-yloxybenzene SMILES: CC(C)OC1=CC=C(C=C1)[N+](=O)[O-]

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PubChem CID	12625304
CAS	26455-31-2
Molecular Weight (g/mol)	181.191
MDL Number	MFCD01327671
SMILES	CC(C)OC1=CC=C(C=C1)[N+](=O)[O-]
Synonym	Isopropyl 4-Nitrophenyl Ether
IUPAC Name	1-nitro-4-propan-2-yloxybenzene
InChI Key	GSOJVDNLACMALV-UHFFFAOYSA-N
Molecular Formula	C9H11NO3

2,4-Dimethoxy-1-nitrobenzene 98.0+%, TCI America™

CAS: 4920-84-7 Molecular Formula: C8H9NO4 Molecular Weight (g/mol): 183.163 MDL Number: MFCD00024210 InChI Key: XXWIYOBCHKCWNT-UHFFFAOYSA-N Synonym: 1,3-dimethoxy-4-nitrobenzene,2,4-dimethoxynitrobenzene,2,4-dimethoxy-1-nitro-benzene,benzene, 2,4-dimethoxy-1-nitro,2,4-dimethoxylnitrobenzene,pubchem19759,acmc-209kfc,2,4dimethoxy-nitrobenzene,2,4-dimethoxy-nitrobenzene,2.4-dimethoxy-nitrobenzene PubChem CID: 78633 IUPAC Name: 2,4-dimethoxy-1-nitrobenzene SMILES: COC1=CC(=C(C=C1)[N+](=O)[O-])OC

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PubChem CID	78633
CAS	4920-84-7
Molecular Weight (g/mol)	183.163
MDL Number	MFCD00024210
SMILES	COC1=CC(=C(C=C1)[N+](=O)[O-])OC
Synonym	1,3-dimethoxy-4-nitrobenzene,2,4-dimethoxynitrobenzene,2,4-dimethoxy-1-nitro-benzene,benzene, 2,4-dimethoxy-1-nitro,2,4-dimethoxylnitrobenzene,pubchem19759,acmc-209kfc,2,4dimethoxy-nitrobenzene,2,4-dimethoxy-nitrobenzene,2.4-dimethoxy-nitrobenzene
IUPAC Name	2,4-dimethoxy-1-nitrobenzene
InChI Key	XXWIYOBCHKCWNT-UHFFFAOYSA-N
Molecular Formula	C8H9NO4

1-Benzyloxy-4-nitrobenzene 98.0+%, TCI America™

CAS: 1145-76-2 Molecular Formula: C13H11NO3 Molecular Weight (g/mol): 229.24 MDL Number: MFCD00024672 InChI Key: YOVUXLHIVNBVKO-UHFFFAOYSA-N Synonym: Benzyl 4-Nitrophenyl Ether PubChem CID: 70842 IUPAC Name: 1-(benzyloxy)-4-nitrobenzene SMILES: [O-][N+](=O)C1=CC=C(OCC2=CC=CC=C2)C=C1

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PubChem CID	70842
CAS	1145-76-2
Molecular Weight (g/mol)	229.24
MDL Number	MFCD00024672
SMILES	[O-][N+](=O)C1=CC=C(OCC2=CC=CC=C2)C=C1
Synonym	Benzyl 4-Nitrophenyl Ether
IUPAC Name	1-(benzyloxy)-4-nitrobenzene
InChI Key	YOVUXLHIVNBVKO-UHFFFAOYSA-N
Molecular Formula	C13H11NO3

1-Hexyloxy-4-nitrobenzene 98.0+%, TCI America™

CAS: 15440-98-9 Molecular Formula: C12H17NO3 Molecular Weight (g/mol): 223.272 MDL Number: MFCD00043610 InChI Key: VLMYJULPWGTTAV-UHFFFAOYSA-N Synonym: Hexyl 4-Nitrophenyl Ether, 4-Hexyloxynitrobenzene PubChem CID: 84912 IUPAC Name: 1-hexoxy-4-nitrobenzene SMILES: CCCCCCOC1=CC=C(C=C1)[N+](=O)[O-]

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PubChem CID	84912
CAS	15440-98-9
Molecular Weight (g/mol)	223.272
MDL Number	MFCD00043610
SMILES	CCCCCCOC1=CC=C(C=C1)[N+](=O)[O-]
Synonym	Hexyl 4-Nitrophenyl Ether, 4-Hexyloxynitrobenzene
IUPAC Name	1-hexoxy-4-nitrobenzene
InChI Key	VLMYJULPWGTTAV-UHFFFAOYSA-N
Molecular Formula	C12H17NO3

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