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Naphthalenes

Polycyclic aromatic hydrocarbon compounds that consist of ten carbon atoms and eight hydrogen atoms fused into two benzene rings; it is the simplest polycyclic aromatic hydrocarbon.

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1

4,5-Dihydroxynaphthalene-2,7-disulfonic acid, disodium salt dihydrate, ACS reagent

CAS: 5808-22-0 Molecular Formula: C10H10Na2O10S2 Molecular Weight (g/mol): 400.28 MDL Number: MFCD00150612 InChI Key: QUEAKWJKJBFNEG-UHFFFAOYSA-L Synonym: chromotropic acid sodium salt,4,5-dihydroxy-2,7-naphthalenedisulfonate,di sodium; 4,5-dihydroxy-7-sulfo-naphthalene-2-sulfonic acid,4,5-dihydroxynaphthalene-2,7-disulfonic acid disodium salt dihydrate, acs 5g PubChem CID: 124202444 IUPAC Name: 2,7-disodium 4,5-dihydroxynaphthalene-2,7-disulfonate dihydrate SMILES: O.O.OC1=CC(=CC2=CC(=CC(O)=C12)S(=O)(=O)O[Na])S(=O)(=O)O[Na]

EDGE
PubChem CID 124202444
CAS 5808-22-0
Molecular Weight (g/mol) 400.28
MDL Number MFCD00150612
SMILES O.O.OC1=CC(=CC2=CC(=CC(O)=C12)S(=O)(=O)O[Na])S(=O)(=O)O[Na]
Synonym chromotropic acid sodium salt,4,5-dihydroxy-2,7-naphthalenedisulfonate,di sodium; 4,5-dihydroxy-7-sulfo-naphthalene-2-sulfonic acid,4,5-dihydroxynaphthalene-2,7-disulfonic acid disodium salt dihydrate, acs 5g
IUPAC Name 2,7-disodium 4,5-dihydroxynaphthalene-2,7-disulfonate dihydrate
InChI Key QUEAKWJKJBFNEG-UHFFFAOYSA-L
Molecular Formula C10H10Na2O10S2
2

4,5-Dihydroxynaphthalene-2,7-disulfonic Acid, Disodium Salt Dihydrate, 98%

CAS: 5808-22-0 Molecular Formula: C10H10Na2O10S2 Molecular Weight (g/mol): 400.28 MDL Number: MFCD00150612 InChI Key: QUEAKWJKJBFNEG-UHFFFAOYSA-L Synonym: chromotropic acid sodium salt,4,5-dihydroxy-2,7-naphthalenedisulfonate,di sodium; 4,5-dihydroxy-7-sulfo-naphthalene-2-sulfonic acid,4,5-dihydroxynaphthalene-2,7-disulfonic acid disodium salt dihydrate, acs 5g PubChem CID: 124202444 IUPAC Name: 2,7-disodium 4,5-dihydroxynaphthalene-2,7-disulfonate dihydrate SMILES: O.O.OC1=CC(=CC2=CC(=CC(O)=C12)S(=O)(=O)O[Na])S(=O)(=O)O[Na]

EDGE
PubChem CID 124202444
CAS 5808-22-0
Molecular Weight (g/mol) 400.28
MDL Number MFCD00150612
SMILES O.O.OC1=CC(=CC2=CC(=CC(O)=C12)S(=O)(=O)O[Na])S(=O)(=O)O[Na]
Synonym chromotropic acid sodium salt,4,5-dihydroxy-2,7-naphthalenedisulfonate,di sodium; 4,5-dihydroxy-7-sulfo-naphthalene-2-sulfonic acid,4,5-dihydroxynaphthalene-2,7-disulfonic acid disodium salt dihydrate, acs 5g
IUPAC Name 2,7-disodium 4,5-dihydroxynaphthalene-2,7-disulfonate dihydrate
InChI Key QUEAKWJKJBFNEG-UHFFFAOYSA-L
Molecular Formula C10H10Na2O10S2
3

2-Methyl-1,4-naphthoquinone, 98%

CAS: 58-27-5 Molecular Formula: C11H8O2 Molecular Weight (g/mol): 172.18 MDL Number: MFCD00001681 InChI Key: MJVAVZPDRWSRRC-UHFFFAOYSA-N Synonym: menadione,vitamin k3,2-methyl-1,4-naphthoquinone,menaphthone,2-methylnaphthoquinone,thyloquinone,kappaxin,kayquinone,klottone,panosine PubChem CID: 4055 ChEBI: CHEBI:28869 IUPAC Name: 2-methylnaphthalene-1,4-dione SMILES: CC1=CC(=O)C2=CC=CC=C2C1=O

EDGE
PubChem CID 4055
CAS 58-27-5
Molecular Weight (g/mol) 172.18
ChEBI CHEBI:28869
MDL Number MFCD00001681
SMILES CC1=CC(=O)C2=CC=CC=C2C1=O
Synonym menadione,vitamin k3,2-methyl-1,4-naphthoquinone,menaphthone,2-methylnaphthoquinone,thyloquinone,kappaxin,kayquinone,klottone,panosine
IUPAC Name 2-methylnaphthalene-1,4-dione
InChI Key MJVAVZPDRWSRRC-UHFFFAOYSA-N
Molecular Formula C11H8O2
4

1,4-Naphthoquinone, 99%, contains up to 6% water

CAS: 130-15-4 Molecular Formula: C10H6O2 Molecular Weight (g/mol): 158.16 MDL Number: MFCD00001676 InChI Key: FRASJONUBLZVQX-UHFFFAOYSA-N Synonym: 1,4-naphthoquinone,1,4-naphthalenedione,p-naphthoquinone,naphthoquinone,alpha-naphthoquinone,1,4-naphthylquinone,usaf cy-10,1,4-dihydronaphthalene-1,4-dione,1,4-dihydro-1,4-diketonaphthalene,1,4-naftochinon PubChem CID: 8530 ChEBI: CHEBI:27418 IUPAC Name: naphthalene-1,4-dione SMILES: C1=CC=C2C(=O)C=CC(=O)C2=C1

PubChem CID 8530
CAS 130-15-4
Molecular Weight (g/mol) 158.16
ChEBI CHEBI:27418
MDL Number MFCD00001676
SMILES C1=CC=C2C(=O)C=CC(=O)C2=C1
Synonym 1,4-naphthoquinone,1,4-naphthalenedione,p-naphthoquinone,naphthoquinone,alpha-naphthoquinone,1,4-naphthylquinone,usaf cy-10,1,4-dihydronaphthalene-1,4-dione,1,4-dihydro-1,4-diketonaphthalene,1,4-naftochinon
IUPAC Name naphthalene-1,4-dione
InChI Key FRASJONUBLZVQX-UHFFFAOYSA-N
Molecular Formula C10H6O2
5

1-Naphthol, 99+%

CAS: 90-15-3 Molecular Formula: C10H8O Molecular Weight (g/mol): 144.17 MDL Number: MFCD00003930 InChI Key: KJCVRFUGPWSIIH-UHFFFAOYSA-N Synonym: 1-naphthol,1-naphthalenol,alpha-naphthol,1-hydroxynaphthalene,naphthol,fouramine ern,fourrine ern,tertral ern,furro er,basf ursol ern PubChem CID: 7005 ChEBI: CHEBI:10319 IUPAC Name: naphthalen-1-ol SMILES: C1=CC=C2C(=C1)C=CC=C2O

PubChem CID 7005
CAS 90-15-3
Molecular Weight (g/mol) 144.17
ChEBI CHEBI:10319
MDL Number MFCD00003930
SMILES C1=CC=C2C(=C1)C=CC=C2O
Synonym 1-naphthol,1-naphthalenol,alpha-naphthol,1-hydroxynaphthalene,naphthol,fouramine ern,fourrine ern,tertral ern,furro er,basf ursol ern
IUPAC Name naphthalen-1-ol
InChI Key KJCVRFUGPWSIIH-UHFFFAOYSA-N
Molecular Formula C10H8O
6

2-Bromo-1-naphthol, 95%

CAS: 771-15-3 Molecular Formula: C10H7BrO Molecular Weight (g/mol): 223.07 MDL Number: MFCD00274158 InChI Key: LOHOSHDZQVKDPS-UHFFFAOYSA-N Synonym: 2-bromo-1-naphthol,2-bromo-naphthalen-1-ol,2-bromo-1-naphthalenol,1-naphthalenol, 2-bromo,naphthalenol, bromo,bromonaphthol,bromnaphthol,pubchem22909,2-bromanylnaphthalen-1-ol,acmc-209vk0 PubChem CID: 150849 IUPAC Name: 2-bromonaphthalen-1-ol SMILES: OC1=C2C=CC=CC2=CC=C1Br

PubChem CID 150849
CAS 771-15-3
Molecular Weight (g/mol) 223.07
MDL Number MFCD00274158
SMILES OC1=C2C=CC=CC2=CC=C1Br
Synonym 2-bromo-1-naphthol,2-bromo-naphthalen-1-ol,2-bromo-1-naphthalenol,1-naphthalenol, 2-bromo,naphthalenol, bromo,bromonaphthol,bromnaphthol,pubchem22909,2-bromanylnaphthalen-1-ol,acmc-209vk0
IUPAC Name 2-bromonaphthalen-1-ol
InChI Key LOHOSHDZQVKDPS-UHFFFAOYSA-N
Molecular Formula C10H7BrO
7

1-Naphthol, 99%

CAS: 90-15-3 Molecular Formula: C10H8O Molecular Weight (g/mol): 144.173 MDL Number: MFCD00003930 InChI Key: KJCVRFUGPWSIIH-UHFFFAOYSA-N Synonym: 1-naphthol,1-naphthalenol,alpha-naphthol,1-hydroxynaphthalene,naphthol,fouramine ern,fourrine ern,tertral ern,furro er,basf ursol ern PubChem CID: 7005 ChEBI: CHEBI:10319 IUPAC Name: naphthalen-1-ol SMILES: C1=CC=C2C(=C1)C=CC=C2O

PubChem CID 7005
CAS 90-15-3
Molecular Weight (g/mol) 144.173
ChEBI CHEBI:10319
MDL Number MFCD00003930
SMILES C1=CC=C2C(=C1)C=CC=C2O
Synonym 1-naphthol,1-naphthalenol,alpha-naphthol,1-hydroxynaphthalene,naphthol,fouramine ern,fourrine ern,tertral ern,furro er,basf ursol ern
IUPAC Name naphthalen-1-ol
InChI Key KJCVRFUGPWSIIH-UHFFFAOYSA-N
Molecular Formula C10H8O
8

5-Hydroxy-p-naphthoquinone, 97%

CAS: 481-39-0 Molecular Formula: C10H6O3 Molecular Weight (g/mol): 174.16 MDL Number: MFCD00001684 InChI Key: KQPYUDDGWXQXHS-UHFFFAOYSA-N Synonym: juglone,5-hydroxy-1,4-naphthoquinone,5-hydroxy-1,4-naphthalenedione,regianin,walnut extract,juglon,nucin,5-hydroxynaphthoquinone,akhnot,yuglon PubChem CID: 3806 ChEBI: CHEBI:15794 IUPAC Name: 5-hydroxynaphthalene-1,4-dione SMILES: OC1=CC=CC2=C1C(=O)C=CC2=O

PubChem CID 3806
CAS 481-39-0
Molecular Weight (g/mol) 174.16
ChEBI CHEBI:15794
MDL Number MFCD00001684
SMILES OC1=CC=CC2=C1C(=O)C=CC2=O
Synonym juglone,5-hydroxy-1,4-naphthoquinone,5-hydroxy-1,4-naphthalenedione,regianin,walnut extract,juglon,nucin,5-hydroxynaphthoquinone,akhnot,yuglon
IUPAC Name 5-hydroxynaphthalene-1,4-dione
InChI Key KQPYUDDGWXQXHS-UHFFFAOYSA-N
Molecular Formula C10H6O3
9

Suramin hexasodium salt, 98%, Thermo Scientific Chemicals

CAS: 129-46-4 Molecular Formula: C51H34N6Na6O23S6 Molecular Weight (g/mol): 1429.15 MDL Number: MFCD00210217 InChI Key: VAPNKLKDKUDFHK-UHFFFAOYSA-H Synonym: suramin sodium,suramin hexasodium,suramin hexasodium salt,suramin sodium salt,antrypol,moranyl,naganinum,naphuride sodium,fourneau 309,suramine sodium salt PubChem CID: 8514 IUPAC Name: hexasodium;8-[[4-methyl-3-[[3-[[3-[[2-methyl-5-[(4,6,8-trisulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonate SMILES: [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CC1=CC=C(C=C1NC(=O)C1=CC(NC(=O)NC2=CC(=CC=C2)C(=O)NC2=CC(=CC=C2C)C(=O)NC2=C3C(C=C(C=C3S([O-])(=O)=O)S([O-])(=O)=O)=C(C=C2)S([O-])(=O)=O)=CC=C1)C(=O)NC1=C2C(C=C(C=C2S([O-])(=O)=O)S([O-])(=O)=O)=C(C=C1)S([O-])(=O)=O

PubChem CID 8514
CAS 129-46-4
Molecular Weight (g/mol) 1429.15
MDL Number MFCD00210217
SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CC1=CC=C(C=C1NC(=O)C1=CC(NC(=O)NC2=CC(=CC=C2)C(=O)NC2=CC(=CC=C2C)C(=O)NC2=C3C(C=C(C=C3S([O-])(=O)=O)S([O-])(=O)=O)=C(C=C2)S([O-])(=O)=O)=CC=C1)C(=O)NC1=C2C(C=C(C=C2S([O-])(=O)=O)S([O-])(=O)=O)=C(C=C1)S([O-])(=O)=O
Synonym suramin sodium,suramin hexasodium,suramin hexasodium salt,suramin sodium salt,antrypol,moranyl,naganinum,naphuride sodium,fourneau 309,suramine sodium salt
IUPAC Name hexasodium;8-[[4-methyl-3-[[3-[[3-[[2-methyl-5-[(4,6,8-trisulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonate
InChI Key VAPNKLKDKUDFHK-UHFFFAOYSA-H
Molecular Formula C51H34N6Na6O23S6
10

4-[3-(Methylamino)-1-(2-thienyl)propyl]-1-naphthalenol Hydrochloride (Duloxetine Impurity), TRC

CAS: 953028-76-7 Molecular Formula: C18H19NOS.ClH Molecular Weight (g/mol): 333.88 Synonym: Duloxetine Impurity IUPAC Name: 4-[3-(methylamino)-1-(2-thienyl)propyl]naphthalen-1-ol;hydrochloride SMILES: Cl.CNCCC(c1cccs1)c2ccc(O)c3ccccc23

CAS 953028-76-7
Molecular Weight (g/mol) 333.88
SMILES Cl.CNCCC(c1cccs1)c2ccc(O)c3ccccc23
Synonym Duloxetine Impurity
IUPAC Name 4-[3-(methylamino)-1-(2-thienyl)propyl]naphthalen-1-ol;hydrochloride
Molecular Formula C18H19NOS.ClH
11

6-(4-Methoxyphenyl)-2-naphthoic Acid, TRC

CAS: 132292-17-2 Molecular Formula: C18H14O3 Molecular Weight (g/mol): 278.3 Synonym: 2-(4-Methoxyphenyl)naphthalene-6-carboxylic Acid,6-(4-Methoxyphenyl)-2-naphthalenecarboxylic Acid IUPAC Name: 6-(4-methoxyphenyl)naphthalene-2-carboxylic acid SMILES: COc1ccc(cc1)c2ccc3cc(ccc3c2)C(=O)O

CAS 132292-17-2
Molecular Weight (g/mol) 278.3
SMILES COc1ccc(cc1)c2ccc3cc(ccc3c2)C(=O)O
Synonym 2-(4-Methoxyphenyl)naphthalene-6-carboxylic Acid,6-(4-Methoxyphenyl)-2-naphthalenecarboxylic Acid
IUPAC Name 6-(4-methoxyphenyl)naphthalene-2-carboxylic acid
Molecular Formula C18H14O3
12

1,4-Naphthoquinone, 97+% (dry wt.), cont. up to 5% water

CAS: 130-15-4 Molecular Formula: C10H6O2 Molecular Weight (g/mol): 158.156 MDL Number: MFCD00001676 InChI Key: FRASJONUBLZVQX-UHFFFAOYSA-N Synonym: 1,4-naphthoquinone,1,4-naphthalenedione,p-naphthoquinone,naphthoquinone,alpha-naphthoquinone,1,4-naphthylquinone,usaf cy-10,1,4-dihydronaphthalene-1,4-dione,1,4-dihydro-1,4-diketonaphthalene,1,4-naftochinon PubChem CID: 8530 ChEBI: CHEBI:27418 IUPAC Name: naphthalene-1,4-dione SMILES: C1=CC=C2C(=O)C=CC(=O)C2=C1

PubChem CID 8530
CAS 130-15-4
Molecular Weight (g/mol) 158.156
ChEBI CHEBI:27418
MDL Number MFCD00001676
SMILES C1=CC=C2C(=O)C=CC(=O)C2=C1
Synonym 1,4-naphthoquinone,1,4-naphthalenedione,p-naphthoquinone,naphthoquinone,alpha-naphthoquinone,1,4-naphthylquinone,usaf cy-10,1,4-dihydronaphthalene-1,4-dione,1,4-dihydro-1,4-diketonaphthalene,1,4-naftochinon
IUPAC Name naphthalene-1,4-dione
InChI Key FRASJONUBLZVQX-UHFFFAOYSA-N
Molecular Formula C10H6O2
13

Dynamin Inhibitor I, Dynasore, TRC

CAS: 304448-55-3 Molecular Formula: C18 H14 N2 O4 Molecular Weight (g/mol): 322.315 Synonym: 3-Hydroxy-[(3,4-dihydroxyphenyl)methylene]hydrazide 2-Naphthalenecarboxylic Acid IUPAC Name: N-[(3,4-dihydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide SMILES: Oc1ccc(C=NNC(=O)c2cc3ccccc3cc2O)cc1O

CAS 304448-55-3
Molecular Weight (g/mol) 322.315
SMILES Oc1ccc(C=NNC(=O)c2cc3ccccc3cc2O)cc1O
Synonym 3-Hydroxy-[(3,4-dihydroxyphenyl)methylene]hydrazide 2-Naphthalenecarboxylic Acid
IUPAC Name N-[(3,4-dihydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
Molecular Formula C18 H14 N2 O4
14

STF 083010, TRC

CAS: 307543-71-1 Molecular Formula: C15H11NO3S2 Molecular Weight (g/mol): 317.38 Synonym: STF 083010,N-[(2-Hydroxy-1-naphthalenyl)methylene]-2-thiophenesulfonamide IUPAC Name: (NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]thiophene-2-sulfonamide SMILES: Oc1ccc2ccccc2c1\C=N\S(=O)(=O)c3cccs3

CAS 307543-71-1
Molecular Weight (g/mol) 317.38
SMILES Oc1ccc2ccccc2c1\C=N\S(=O)(=O)c3cccs3
Synonym STF 083010,N-[(2-Hydroxy-1-naphthalenyl)methylene]-2-thiophenesulfonamide
IUPAC Name (NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]thiophene-2-sulfonamide
Molecular Formula C15H11NO3S2
15

Buparvaquone, TRC

CAS: 88426-33-9 Molecular Formula: C21 H26 O3 Molecular Weight (g/mol): 326.43 Synonym: 2-[[4-(1,1-Dimethylethyl)cyclohexyl]methyl]-3-hydroxy-1,4-naphthalenedione,Buparvaquone,Butalex IUPAC Name: 2-[(4-tert-butylcyclohexyl)methyl]-3-hydroxynaphthalene-1,4-dione SMILES: CC(C)(C)C1CCC(CC2=C(O)C(=O)c3ccccc3C2=O)CC1

CAS 88426-33-9
Molecular Weight (g/mol) 326.43
SMILES CC(C)(C)C1CCC(CC2=C(O)C(=O)c3ccccc3C2=O)CC1
Synonym 2-[[4-(1,1-Dimethylethyl)cyclohexyl]methyl]-3-hydroxy-1,4-naphthalenedione,Buparvaquone,Butalex
IUPAC Name 2-[(4-tert-butylcyclohexyl)methyl]-3-hydroxynaphthalene-1,4-dione
Molecular Formula C21 H26 O3