Methoxybenzenes

Organic compounds that consist of a phenyl group with a methoxy functional group substitution; a methoxy group has an oxygen atom bonded to a methyl group.

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1,3,5-Trimethoxybenzene, 99%

CAS: 621-23-8 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.19 MDL Number: MFCD00008385 InChI Key: LKUDPHPHKOZXCD-UHFFFAOYSA-N Synonym: phloroglucinol trimethyl ether,sym-trimethoxybenzene,benzene, 1,3,5-trimethoxy,1,3,5-trimethyoxybenzene,unii-00vji3vg3d,1,3,5-trimethoxy benzene,o,o,o-1,3,5-trimethylresorcinol,00vji3vg3d,dsstox_cid_25963,dsstox_rid_81259 PubChem CID: 69301 ChEBI: CHEBI:31038 IUPAC Name: 1,3,5-trimethoxybenzene SMILES: COC1=CC(OC)=CC(OC)=C1

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PubChem CID	69301
CAS	621-23-8
Molecular Weight (g/mol)	168.19
ChEBI	CHEBI:31038
MDL Number	MFCD00008385
SMILES	COC1=CC(OC)=CC(OC)=C1
Synonym	phloroglucinol trimethyl ether,sym-trimethoxybenzene,benzene, 1,3,5-trimethoxy,1,3,5-trimethyoxybenzene,unii-00vji3vg3d,1,3,5-trimethoxy benzene,o,o,o-1,3,5-trimethylresorcinol,00vji3vg3d,dsstox_cid_25963,dsstox_rid_81259
IUPAC Name	1,3,5-trimethoxybenzene
InChI Key	LKUDPHPHKOZXCD-UHFFFAOYSA-N
Molecular Formula	C9H12O3

PubChem CID	69301
CAS	621-23-8
Molecular Weight (g/mol)	168.19
ChEBI	CHEBI:31038
MDL Number	MFCD00008385
SMILES	COC1=CC(OC)=CC(OC)=C1
Synonym	phloroglucinol trimethyl ether,sym-trimethoxybenzene,benzene, 1,3,5-trimethoxy,1,3,5-trimethyoxybenzene,unii-00vji3vg3d,1,3,5-trimethoxy benzene,o,o,o-1,3,5-trimethylresorcinol,00vji3vg3d,dsstox_cid_25963,dsstox_rid_81259
IUPAC Name	1,3,5-trimethoxybenzene
InChI Key	LKUDPHPHKOZXCD-UHFFFAOYSA-N
Molecular Formula	C9H12O3

Anisole, 99%, Extra Dry, AcroSeal™

CAS: 100-66-3 Molecular Formula: C₇H₈O Molecular Weight (g/mol): 108.14 InChI Key: RDOXTESZEPMUJZ-UHFFFAOYSA-N Synonym: methoxybenzene,methyl phenyl ether,benzene, methoxy,anisol,phenyl methyl ether,phenoxymethane,anizol,phenol methyl ether,methoxy-benzene PubChem CID: 7519 ChEBI: CHEBI:16579 IUPAC Name: anisole SMILES: COC1=CC=CC=C1

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PubChem CID	7519
CAS	100-66-3
Molecular Weight (g/mol)	108.14
ChEBI	CHEBI:16579
SMILES	COC1=CC=CC=C1
Synonym	methoxybenzene,methyl phenyl ether,benzene, methoxy,anisol,phenyl methyl ether,phenoxymethane,anizol,phenol methyl ether,methoxy-benzene
IUPAC Name	anisole
InChI Key	RDOXTESZEPMUJZ-UHFFFAOYSA-N
Molecular Formula	C₇H₈O

Anisole, 99%, pure

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Specifications

PubChem CID	7519
CAS	100-66-3
Molecular Weight (g/mol)	108.14
ChEBI	CHEBI:16579
SMILES	COC1=CC=CC=C1
Synonym	methoxybenzene,methyl phenyl ether,benzene, methoxy,anisol,phenyl methyl ether,phenoxymethane,anizol,phenol methyl ether,methoxy-benzene
IUPAC Name	anisole
InChI Key	RDOXTESZEPMUJZ-UHFFFAOYSA-N
Molecular Formula	C₇H₈O

Eugenol, 99%

CAS: 97-53-0 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00008654 InChI Key: RRAFCDWBNXTKKO-UHFFFAOYSA-N Synonym: eugenol,4-allylguaiacol,4-allyl-2-methoxyphenol,eugenic acid,allylguaiacol,caryophyllic acid,p-allylguaiacol,p-eugenol,2-methoxy-4-allylphenol,engenol PubChem CID: 3314 ChEBI: CHEBI:4917 SMILES: COC1=CC(CC=C)=CC=C1O

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Specifications

PubChem CID	3314
CAS	97-53-0
Molecular Weight (g/mol)	164.20
ChEBI	CHEBI:4917
MDL Number	MFCD00008654
SMILES	COC1=CC(CC=C)=CC=C1O
Synonym	eugenol,4-allylguaiacol,4-allyl-2-methoxyphenol,eugenic acid,allylguaiacol,caryophyllic acid,p-allylguaiacol,p-eugenol,2-methoxy-4-allylphenol,engenol
InChI Key	RRAFCDWBNXTKKO-UHFFFAOYSA-N
Molecular Formula	C10H12O2

Anisole, 99%

CAS: 100-66-3 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00008354 InChI Key: RDOXTESZEPMUJZ-UHFFFAOYSA-N Synonym: methoxybenzene,methyl phenyl ether,benzene, methoxy,anisol,phenyl methyl ether,phenoxymethane,anizol,phenol methyl ether,methoxy-benzene PubChem CID: 7519 ChEBI: CHEBI:16579 IUPAC Name: anisole SMILES: COC1=CC=CC=C1

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Specifications

PubChem CID	7519
CAS	100-66-3
Molecular Weight (g/mol)	108.14
ChEBI	CHEBI:16579
MDL Number	MFCD00008354
SMILES	COC1=CC=CC=C1
Synonym	methoxybenzene,methyl phenyl ether,benzene, methoxy,anisol,phenyl methyl ether,phenoxymethane,anizol,phenol methyl ether,methoxy-benzene
IUPAC Name	anisole
InChI Key	RDOXTESZEPMUJZ-UHFFFAOYSA-N
Molecular Formula	C7H8O

2,4,6-Trimethoxybenzonitrile, 98%

CAS: 2571-54-2 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.202 MDL Number: MFCD00001787 InChI Key: GBRHJUMDNWLSCT-UHFFFAOYSA-N PubChem CID: 75731 IUPAC Name: 2,4,6-trimethoxybenzonitrile SMILES: COC1=CC(=C(C(=C1)OC)C#N)OC

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Specifications

PubChem CID	75731
CAS	2571-54-2
Molecular Weight (g/mol)	193.202
MDL Number	MFCD00001787
SMILES	COC1=CC(=C(C(=C1)OC)C#N)OC
IUPAC Name	2,4,6-trimethoxybenzonitrile
InChI Key	GBRHJUMDNWLSCT-UHFFFAOYSA-N
Molecular Formula	C10H11NO3

4-Bromoanisole, 98%

CAS: 104-92-7 Molecular Formula: C₇H₇BrO Molecular Weight (g/mol): 187.04 MDL Number: MFCD00000097 InChI Key: QJPJQTDYNZXKQF-UHFFFAOYSA-N Synonym: 4-bromoanisole,p-bromoanisole,benzene, 1-bromo-4-methoxy,4-methoxybromobenzene,anisyl bromide,p-anisyl bromide,p-bromanisole,p-methoxybromobenzene,p-methoxyphenyl bromide,4-methoxyphenyl bromide PubChem CID: 7730 ChEBI: CHEBI:47257 IUPAC Name: 1-bromo-4-methoxybenzene SMILES: COC1=CC=C(C=C1)Br

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PubChem CID	7730
CAS	104-92-7
Molecular Weight (g/mol)	187.04
ChEBI	CHEBI:47257
MDL Number	MFCD00000097
SMILES	COC1=CC=C(C=C1)Br
Synonym	4-bromoanisole,p-bromoanisole,benzene, 1-bromo-4-methoxy,4-methoxybromobenzene,anisyl bromide,p-anisyl bromide,p-bromanisole,p-methoxybromobenzene,p-methoxyphenyl bromide,4-methoxyphenyl bromide
IUPAC Name	1-bromo-4-methoxybenzene
InChI Key	QJPJQTDYNZXKQF-UHFFFAOYSA-N
Molecular Formula	C₇H₇BrO

4-Methoxyphenyl chloroformate, 98%

CAS: 7693-41-6 Molecular Formula: C8H7ClO3 Molecular Weight (g/mol): 186.591 MDL Number: MFCD00013258 InChI Key: CCFSGQKTSBIIHG-UHFFFAOYSA-N Synonym: 4-methoxyphenyl chloroformate,carbonochloridic acid, 4-methoxyphenyl ester,4-methoxyphenylchloroformate,chloroformic acid 4-methoxyphenyl ester,acmc-1bfyr,p-methoxyphenyl chloroformate,4-methoxy-phenyl chloroformate,4-methoxy phenyl chloroformate,4-methoxyphenyl carbonochloridate PubChem CID: 82128 IUPAC Name: (4-methoxyphenyl) carbonochloridate SMILES: COC1=CC=C(C=C1)OC(=O)Cl

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Specifications

PubChem CID	82128
CAS	7693-41-6
Molecular Weight (g/mol)	186.591
MDL Number	MFCD00013258
SMILES	COC1=CC=C(C=C1)OC(=O)Cl
Synonym	4-methoxyphenyl chloroformate,carbonochloridic acid, 4-methoxyphenyl ester,4-methoxyphenylchloroformate,chloroformic acid 4-methoxyphenyl ester,acmc-1bfyr,p-methoxyphenyl chloroformate,4-methoxy-phenyl chloroformate,4-methoxy phenyl chloroformate,4-methoxyphenyl carbonochloridate
IUPAC Name	(4-methoxyphenyl) carbonochloridate
InChI Key	CCFSGQKTSBIIHG-UHFFFAOYSA-N
Molecular Formula	C8H7ClO3

2,4,6-Trimethoxytoluene, 97%

CAS: 14107-97-2 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.219 MDL Number: MFCD00008375 InChI Key: TZPKFPYZCMHDHL-UHFFFAOYSA-N PubChem CID: 84201 IUPAC Name: 1,3,5-trimethoxy-2-methylbenzene SMILES: CC1=C(C=C(C=C1OC)OC)OC

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Specifications

PubChem CID	84201
CAS	14107-97-2
Molecular Weight (g/mol)	182.219
MDL Number	MFCD00008375
SMILES	CC1=C(C=C(C=C1OC)OC)OC
IUPAC Name	1,3,5-trimethoxy-2-methylbenzene
InChI Key	TZPKFPYZCMHDHL-UHFFFAOYSA-N
Molecular Formula	C10H14O3

3-Bromoanisole, 99+%

CAS: 2398-37-0 Molecular Formula: C7H7BrO Molecular Weight (g/mol): 187.04 MDL Number: MFCD00000081 InChI Key: PLDWAJLZAAHOGG-UHFFFAOYSA-N Synonym: 3-bromoanisole,m-bromoanisole,3-methoxybromobenzene,3-bromo anisole,m-bromomethoxybenzene,benzene, 1-bromo-3-methoxy,anisole, m-bromo,3-methoxy-1-bromobenzene,m-methoxybromobenzene,meta-bromoanisole PubChem CID: 16971 IUPAC Name: 1-bromo-3-methoxybenzene SMILES: COC1=CC=CC(Br)=C1

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PubChem CID	16971
CAS	2398-37-0
Molecular Weight (g/mol)	187.04
MDL Number	MFCD00000081
SMILES	COC1=CC=CC(Br)=C1
Synonym	3-bromoanisole,m-bromoanisole,3-methoxybromobenzene,3-bromo anisole,m-bromomethoxybenzene,benzene, 1-bromo-3-methoxy,anisole, m-bromo,3-methoxy-1-bromobenzene,m-methoxybromobenzene,meta-bromoanisole
IUPAC Name	1-bromo-3-methoxybenzene
InChI Key	PLDWAJLZAAHOGG-UHFFFAOYSA-N
Molecular Formula	C7H7BrO

4-Bromoanisole, 99%

CAS: 104-92-7 Molecular Formula: C7H7BrO Molecular Weight (g/mol): 187.036 MDL Number: MFCD00000097 InChI Key: QJPJQTDYNZXKQF-UHFFFAOYSA-N Synonym: 4-bromoanisole,p-bromoanisole,benzene, 1-bromo-4-methoxy,4-methoxybromobenzene,anisyl bromide,p-anisyl bromide,p-bromanisole,p-methoxybromobenzene,p-methoxyphenyl bromide,4-methoxyphenyl bromide PubChem CID: 7730 ChEBI: CHEBI:47257 IUPAC Name: 1-bromo-4-methoxybenzene SMILES: COC1=CC=C(C=C1)Br

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Specifications

PubChem CID	7730
CAS	104-92-7
Molecular Weight (g/mol)	187.036
ChEBI	CHEBI:47257
MDL Number	MFCD00000097
SMILES	COC1=CC=C(C=C1)Br
Synonym	4-bromoanisole,p-bromoanisole,benzene, 1-bromo-4-methoxy,4-methoxybromobenzene,anisyl bromide,p-anisyl bromide,p-bromanisole,p-methoxybromobenzene,p-methoxyphenyl bromide,4-methoxyphenyl bromide
IUPAC Name	1-bromo-4-methoxybenzene
InChI Key	QJPJQTDYNZXKQF-UHFFFAOYSA-N
Molecular Formula	C7H7BrO

2,5-Dichloroanisole, 98%

CAS: 1984-58-3 Molecular Formula: C7H6Cl2O Molecular Weight (g/mol): 177.02 MDL Number: MFCD00061123 InChI Key: QKMNFFSBZRGHDJ-UHFFFAOYSA-N Synonym: 2,5-dichloroanisole,benzene, 1,4-dichloro-2-methoxy,2,5-dichloromethoxybenzene,banair,anisole, 2,5-dichloro,unii-8b3j0y3cj1,2,5-dichloroanizole,pubchem3681,dsstox_cid_7452 PubChem CID: 16125 IUPAC Name: 1,4-dichloro-2-methoxybenzene SMILES: COC1=CC(Cl)=CC=C1Cl

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Specifications

PubChem CID	16125
CAS	1984-58-3
Molecular Weight (g/mol)	177.02
MDL Number	MFCD00061123
SMILES	COC1=CC(Cl)=CC=C1Cl
Synonym	2,5-dichloroanisole,benzene, 1,4-dichloro-2-methoxy,2,5-dichloromethoxybenzene,banair,anisole, 2,5-dichloro,unii-8b3j0y3cj1,2,5-dichloroanizole,pubchem3681,dsstox_cid_7452
IUPAC Name	1,4-dichloro-2-methoxybenzene
InChI Key	QKMNFFSBZRGHDJ-UHFFFAOYSA-N
Molecular Formula	C7H6Cl2O

3-Methoxyphenylacetic acid, 97%

CAS: 1798-09-0 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00004334 InChI Key: LEGPZHPSIPPYIO-UHFFFAOYSA-N Synonym: 3-methoxyphenylacetic acid,2-3-methoxyphenyl acetic acid,m-methoxyphenylacetic acid,3-methoxyphenyl acetic acid,3-methoxybenzeneacetic acid,benzeneacetic acid, 3-methoxy,acetic acid, m-methoxyphenyl,unii-25xlo0t6my,3-methoxy-phenyl-acetic acid,25xlo0t6my PubChem CID: 15719 IUPAC Name: 2-(3-methoxyphenyl)acetic acid SMILES: COC1=CC=CC(=C1)CC(=O)O

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Specifications

PubChem CID	15719
CAS	1798-09-0
Molecular Weight (g/mol)	166.176
MDL Number	MFCD00004334
SMILES	COC1=CC=CC(=C1)CC(=O)O
Synonym	3-methoxyphenylacetic acid,2-3-methoxyphenyl acetic acid,m-methoxyphenylacetic acid,3-methoxyphenyl acetic acid,3-methoxybenzeneacetic acid,benzeneacetic acid, 3-methoxy,acetic acid, m-methoxyphenyl,unii-25xlo0t6my,3-methoxy-phenyl-acetic acid,25xlo0t6my
IUPAC Name	2-(3-methoxyphenyl)acetic acid
InChI Key	LEGPZHPSIPPYIO-UHFFFAOYSA-N
Molecular Formula	C9H10O3

3,4-Difluoroanisole, 98%

CAS: 115144-40-6 Molecular Formula: C7H6F2O Molecular Weight (g/mol): 144.121 MDL Number: MFCD00010730 InChI Key: DSEVNUCNUTYYHW-UHFFFAOYSA-N Synonym: 3,4-difluoroanisole,1,2-difluoro-4-methoxy-benzene,benzene, 1,2-difluoro-4-methoxy,3,4-difluoro-1-methoxybenzene,1,2-difluor-4-methoxybenzol,pubchem3457,3,4-difluoro-anisole,difluorobenzene,1-methoxy,acmc-2099pe PubChem CID: 568250 IUPAC Name: 1,2-difluoro-4-methoxybenzene SMILES: COC1=CC(=C(C=C1)F)F

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Specifications

PubChem CID	568250
CAS	115144-40-6
Molecular Weight (g/mol)	144.121
MDL Number	MFCD00010730
SMILES	COC1=CC(=C(C=C1)F)F
Synonym	3,4-difluoroanisole,1,2-difluoro-4-methoxy-benzene,benzene, 1,2-difluoro-4-methoxy,3,4-difluoro-1-methoxybenzene,1,2-difluor-4-methoxybenzol,pubchem3457,3,4-difluoro-anisole,difluorobenzene,1-methoxy,acmc-2099pe
IUPAC Name	1,2-difluoro-4-methoxybenzene
InChI Key	DSEVNUCNUTYYHW-UHFFFAOYSA-N
Molecular Formula	C7H6F2O

Methoxybenzenes

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