Organooxygen compounds
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2-Methyl-1-pentanol 98.0+%, TCI America™
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CAS: 105-30-6 Molecular Formula: C6H14O Molecular Weight (g/mol): 102.177 MDL Number: MFCD00004745 InChI Key: PFNHSEQQEPMLNI-UHFFFAOYSA-N Synonym: 2-methyl-1-pentanol,1-pentanol, 2-methyl,2-methylpentanol-1,2-methylpentanol,sec-amyl carbinol,2-methylamyl alcohol,+--2-methylpentanol,2-mpoh,+--2-methyl-1-pentanol,2-methyl-2-propylethanol PubChem CID: 7745 IUPAC Name: 2-methylpentan-1-ol SMILES: CCCC(C)CO
| PubChem CID | 7745 |
|---|---|
| CAS | 105-30-6 |
| Molecular Weight (g/mol) | 102.177 |
| MDL Number | MFCD00004745 |
| SMILES | CCCC(C)CO |
| Synonym | 2-methyl-1-pentanol,1-pentanol, 2-methyl,2-methylpentanol-1,2-methylpentanol,sec-amyl carbinol,2-methylamyl alcohol,+--2-methylpentanol,2-mpoh,+--2-methyl-1-pentanol,2-methyl-2-propylethanol |
| IUPAC Name | 2-methylpentan-1-ol |
| InChI Key | PFNHSEQQEPMLNI-UHFFFAOYSA-N |
| Molecular Formula | C6H14O |
2-(2,4-Dichlorophenyl)ethanol 97.0+%, TCI America™
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CAS: 81156-68-5 Molecular Formula: C8H8Cl2O Molecular Weight (g/mol): 191.051 MDL Number: MFCD00192010 InChI Key: JIJGKPVJAALUQQ-UHFFFAOYSA-N Synonym: 2,4-dichlorophenethyl alcohol,2-2,4-dichlorophenyl ethanol,2,4-dichlorophenethylalcohol,2-2,4-dichlorophenyl ethan-1-ol,2,4-dichlorobenzeneethanol,acmc-209pku,ksc450o3l,2,4-dichlorophenylmethyl-carbinol,2-2,4-dichlorophenyl-ethanol PubChem CID: 2734099 IUPAC Name: 2-(2,4-dichlorophenyl)ethanol SMILES: C1=CC(=C(C=C1Cl)Cl)CCO
| PubChem CID | 2734099 |
|---|---|
| CAS | 81156-68-5 |
| Molecular Weight (g/mol) | 191.051 |
| MDL Number | MFCD00192010 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)CCO |
| Synonym | 2,4-dichlorophenethyl alcohol,2-2,4-dichlorophenyl ethanol,2,4-dichlorophenethylalcohol,2-2,4-dichlorophenyl ethan-1-ol,2,4-dichlorobenzeneethanol,acmc-209pku,ksc450o3l,2,4-dichlorophenylmethyl-carbinol,2-2,4-dichlorophenyl-ethanol |
| IUPAC Name | 2-(2,4-dichlorophenyl)ethanol |
| InChI Key | JIJGKPVJAALUQQ-UHFFFAOYSA-N |
| Molecular Formula | C8H8Cl2O |
2,3-Dimethylanthraquinone 95.0+%, TCI America™
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CAS: 6531-35-7 Molecular Formula: C16H12O2 Molecular Weight (g/mol): 236.27 InChI Key: KIJPZYXCIHZVGP-UHFFFAOYSA-N PubChem CID: 81019 IUPAC Name: 2,3-dimethylanthracene-9,10-dione SMILES: CC1=C(C=C2C(=C1)C(=O)C3=CC=CC=C3C2=O)C
| PubChem CID | 81019 |
|---|---|
| CAS | 6531-35-7 |
| Molecular Weight (g/mol) | 236.27 |
| SMILES | CC1=C(C=C2C(=C1)C(=O)C3=CC=CC=C3C2=O)C |
| IUPAC Name | 2,3-dimethylanthracene-9,10-dione |
| InChI Key | KIJPZYXCIHZVGP-UHFFFAOYSA-N |
| Molecular Formula | C16H12O2 |
Bis(2,4-pentanedionato)calcium(II) 98.0+%, TCI America™
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CAS: 19372-44-2 Molecular Formula: C10H18CaO6 Molecular Weight (g/mol): 274.326 MDL Number: MFCD00013486 InChI Key: FTDUGYDPOWCKTD-VGKOASNMSA-L Synonym: Acetylacetone Calcium(II) Salt, Calcium(II) Acetylacetonate PubChem CID: 131675864 IUPAC Name: calcium;(Z)-4-oxopent-2-en-2-olate;dihydrate SMILES: CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].O.O.[Ca+2]
| PubChem CID | 131675864 |
|---|---|
| CAS | 19372-44-2 |
| Molecular Weight (g/mol) | 274.326 |
| MDL Number | MFCD00013486 |
| SMILES | CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].O.O.[Ca+2] |
| Synonym | Acetylacetone Calcium(II) Salt, Calcium(II) Acetylacetonate |
| IUPAC Name | calcium;(Z)-4-oxopent-2-en-2-olate;dihydrate |
| InChI Key | FTDUGYDPOWCKTD-VGKOASNMSA-L |
| Molecular Formula | C10H18CaO6 |
2-Acetyl-3-ethylpyrazine 98.0+%, TCI America™
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CAS: 32974-92-8 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.181 MDL Number: MFCD00038028 InChI Key: PPJSYGVFDJEMRP-UHFFFAOYSA-N Synonym: 2-acetyl-3-ethylpyrazine,1-3-ethylpyrazin-2-yl ethanone,ethanone, 1-3-ethylpyrazinyl,2-acetyl-3-ethyl-1,4-diazine,1-3-ethylpyrazinyl ethan-1-one,unii-aq03n14xtl,1-3-ethylpyrazinyl ethanone,1-3-ethyl-2-pyrazinyl ethanone,3-ethyl-2-acetylpyrazine,2-acetyl-3-ethyl pyrazine PubChem CID: 61918 IUPAC Name: 1-(3-ethylpyrazin-2-yl)ethanone SMILES: CCC1=NC=CN=C1C(=O)C
| PubChem CID | 61918 |
|---|---|
| CAS | 32974-92-8 |
| Molecular Weight (g/mol) | 150.181 |
| MDL Number | MFCD00038028 |
| SMILES | CCC1=NC=CN=C1C(=O)C |
| Synonym | 2-acetyl-3-ethylpyrazine,1-3-ethylpyrazin-2-yl ethanone,ethanone, 1-3-ethylpyrazinyl,2-acetyl-3-ethyl-1,4-diazine,1-3-ethylpyrazinyl ethan-1-one,unii-aq03n14xtl,1-3-ethylpyrazinyl ethanone,1-3-ethyl-2-pyrazinyl ethanone,3-ethyl-2-acetylpyrazine,2-acetyl-3-ethyl pyrazine |
| IUPAC Name | 1-(3-ethylpyrazin-2-yl)ethanone |
| InChI Key | PPJSYGVFDJEMRP-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O |
Propargylaldehyde Diethyl Acetal 97.0+%, TCI America™
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CAS: 10160-87-9 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00009237 InChI Key: RGUXEWWHSQGVRZ-UHFFFAOYSA-N Synonym: 3,3-diethoxy-1-propyne,propargylaldehyde diethyl acetal,3,3-diethoxypropyne,propiolaldehyde diethyl acetal,1-propyne, 3,3-diethoxy,3,3-diethoxy-propyne,propynal diethyl acetal,1,1-diethoxyprop-2-yne,1-propyne,3,3-diethoxy,propargyl aldehyde diethylacetal PubChem CID: 66285 IUPAC Name: 3,3-diethoxyprop-1-yne SMILES: CCOC(OCC)C#C
| PubChem CID | 66285 |
|---|---|
| CAS | 10160-87-9 |
| Molecular Weight (g/mol) | 128.17 |
| MDL Number | MFCD00009237 |
| SMILES | CCOC(OCC)C#C |
| Synonym | 3,3-diethoxy-1-propyne,propargylaldehyde diethyl acetal,3,3-diethoxypropyne,propiolaldehyde diethyl acetal,1-propyne, 3,3-diethoxy,3,3-diethoxy-propyne,propynal diethyl acetal,1,1-diethoxyprop-2-yne,1-propyne,3,3-diethoxy,propargyl aldehyde diethylacetal |
| IUPAC Name | 3,3-diethoxyprop-1-yne |
| InChI Key | RGUXEWWHSQGVRZ-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
4-(4-Fluorobenzoyl)butyric Acid 98.0+%, TCI America™
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CAS: 149437-76-3 Molecular Formula: C11H11FO3 Molecular Weight (g/mol): 210.204 MDL Number: MFCD00667222 InChI Key: ZBQROUOOMAMCQW-UHFFFAOYSA-N Synonym: 4-4-fluorobenzoyl butyric acid,5-4-fluorophenyl-5-oxopentanoic acid,4-4-fluorobenzoyl butyricacid,5-4-fluorophenyl-5-oxovaleric acid,4-fluorobenzoylbutyric acid,5-4'-fluorophenyl-5-oxopentanoic acid,4-4-fluorobenzoyl butanoic acid,4-4-fluorobenzoyl-butyric acid,4-fluorophenyl-5-oxopentanoic acid,4-4'-fluorobenzoyl butyric acid PubChem CID: 689096 IUPAC Name: 5-(4-fluorophenyl)-5-oxopentanoic acid SMILES: C1=CC(=CC=C1C(=O)CCCC(=O)O)F
| PubChem CID | 689096 |
|---|---|
| CAS | 149437-76-3 |
| Molecular Weight (g/mol) | 210.204 |
| MDL Number | MFCD00667222 |
| SMILES | C1=CC(=CC=C1C(=O)CCCC(=O)O)F |
| Synonym | 4-4-fluorobenzoyl butyric acid,5-4-fluorophenyl-5-oxopentanoic acid,4-4-fluorobenzoyl butyricacid,5-4-fluorophenyl-5-oxovaleric acid,4-fluorobenzoylbutyric acid,5-4'-fluorophenyl-5-oxopentanoic acid,4-4-fluorobenzoyl butanoic acid,4-4-fluorobenzoyl-butyric acid,4-fluorophenyl-5-oxopentanoic acid,4-4'-fluorobenzoyl butyric acid |
| IUPAC Name | 5-(4-fluorophenyl)-5-oxopentanoic acid |
| InChI Key | ZBQROUOOMAMCQW-UHFFFAOYSA-N |
| Molecular Formula | C11H11FO3 |
Dipropyl Malonate 98.0+%, TCI America™
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CAS: 1117-19-7 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.223 MDL Number: MFCD00059406 InChI Key: LWIWFCDNJNZEKB-UHFFFAOYSA-N Synonym: Malonic Acid Dipropyl Ester PubChem CID: 517959 IUPAC Name: dipropyl propanedioate SMILES: CCCOC(=O)CC(=O)OCCC
| PubChem CID | 517959 |
|---|---|
| CAS | 1117-19-7 |
| Molecular Weight (g/mol) | 188.223 |
| MDL Number | MFCD00059406 |
| SMILES | CCCOC(=O)CC(=O)OCCC |
| Synonym | Malonic Acid Dipropyl Ester |
| IUPAC Name | dipropyl propanedioate |
| InChI Key | LWIWFCDNJNZEKB-UHFFFAOYSA-N |
| Molecular Formula | C9H16O4 |
4'-Fluoro-3'-(trifluoromethyl)acetophenone 97.0+%, TCI America™
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CAS: 208173-24-4 Molecular Formula: C9H6F4O Molecular Weight (g/mol): 206.14 MDL Number: MFCD00061252 InChI Key: SYFHRXQPXHETEF-UHFFFAOYSA-N Synonym: 4'-fluoro-3'-trifluoromethyl acetophenone,1-4-fluoro-3-trifluoromethyl phenyl ethanone,4-fluoro-3-trifluoromethyl acetophenone,4'-fluoro-3'-trifluoromethylacetophenone,1-4-fluoro-3-trifluoromethyl phenyl ethan-1-one,5-acetyl-2-fluorobenzotrifluoride,ethanone, 1-4-fluoro-3-trifluoromethyl phenyl,1-acetyl-4-fluoro-3-trifluoromethyl benzene,pubchem4321 PubChem CID: 605678 IUPAC Name: 1-[4-fluoro-3-(trifluoromethyl)phenyl]ethan-1-one SMILES: CC(=O)C1=CC=C(F)C(=C1)C(F)(F)F
| PubChem CID | 605678 |
|---|---|
| CAS | 208173-24-4 |
| Molecular Weight (g/mol) | 206.14 |
| MDL Number | MFCD00061252 |
| SMILES | CC(=O)C1=CC=C(F)C(=C1)C(F)(F)F |
| Synonym | 4'-fluoro-3'-trifluoromethyl acetophenone,1-4-fluoro-3-trifluoromethyl phenyl ethanone,4-fluoro-3-trifluoromethyl acetophenone,4'-fluoro-3'-trifluoromethylacetophenone,1-4-fluoro-3-trifluoromethyl phenyl ethan-1-one,5-acetyl-2-fluorobenzotrifluoride,ethanone, 1-4-fluoro-3-trifluoromethyl phenyl,1-acetyl-4-fluoro-3-trifluoromethyl benzene,pubchem4321 |
| IUPAC Name | 1-[4-fluoro-3-(trifluoromethyl)phenyl]ethan-1-one |
| InChI Key | SYFHRXQPXHETEF-UHFFFAOYSA-N |
| Molecular Formula | C9H6F4O |
Methyl 2-Oxocyclopentanecarboxylate 97.0+%, TCI America™
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CAS: 10472-24-9 Molecular Formula: C7H10O3 Molecular Weight (g/mol): 142.154 MDL Number: MFCD00001411 InChI Key: PZBBESSUKAHBHD-UHFFFAOYSA-N Synonym: methyl 2-oxocyclopentanecarboxylate,methyl 2-cyclopentanonecarboxylate,2-carbmethoxycyclopentanone,methyl cyclopentanone-2-carboxylate,cyclopentanecarboxylic acid, 2-oxo-, methyl ester,2-methoxy carbonyl cyclopentanone,2-methoxycarbonylcyclopentanone,2-oxocyclopentanecarboxylic acid methyl ester,cyclopentanone-2-carboxylic acid methyl ester,mehyl-2-oxocyclopentane PubChem CID: 66328 IUPAC Name: methyl 2-oxocyclopentane-1-carboxylate SMILES: COC(=O)C1CCCC1=O
| PubChem CID | 66328 |
|---|---|
| CAS | 10472-24-9 |
| Molecular Weight (g/mol) | 142.154 |
| MDL Number | MFCD00001411 |
| SMILES | COC(=O)C1CCCC1=O |
| Synonym | methyl 2-oxocyclopentanecarboxylate,methyl 2-cyclopentanonecarboxylate,2-carbmethoxycyclopentanone,methyl cyclopentanone-2-carboxylate,cyclopentanecarboxylic acid, 2-oxo-, methyl ester,2-methoxy carbonyl cyclopentanone,2-methoxycarbonylcyclopentanone,2-oxocyclopentanecarboxylic acid methyl ester,cyclopentanone-2-carboxylic acid methyl ester,mehyl-2-oxocyclopentane |
| IUPAC Name | methyl 2-oxocyclopentane-1-carboxylate |
| InChI Key | PZBBESSUKAHBHD-UHFFFAOYSA-N |
| Molecular Formula | C7H10O3 |
3',5'-Bis(trifluoromethyl)acetophenone 98.0+%, TCI America™
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CAS: 30071-93-3 Molecular Formula: C10H6F6O Molecular Weight (g/mol): 256.15 MDL Number: MFCD00009910 InChI Key: MCYCSIKSZLARBD-UHFFFAOYSA-N Synonym: 3',5'-bis trifluoromethyl acetophenone,3,5-bis trifluoromethyl acetophenone,1-3,5-bis trifluoromethyl phenyl ethanone,1-3,5-bis trifluoromethyl phenyl ethan-1-one,mbt-ac,1-3,5-di trifluoromethyl phenyl ethan-1-one,3,5-ditrifluoromethylacetophenone,3',5'-bis-trifluoromethylacetophenone PubChem CID: 121616 IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-one SMILES: CC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
| PubChem CID | 121616 |
|---|---|
| CAS | 30071-93-3 |
| Molecular Weight (g/mol) | 256.15 |
| MDL Number | MFCD00009910 |
| SMILES | CC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
| Synonym | 3',5'-bis trifluoromethyl acetophenone,3,5-bis trifluoromethyl acetophenone,1-3,5-bis trifluoromethyl phenyl ethanone,1-3,5-bis trifluoromethyl phenyl ethan-1-one,mbt-ac,1-3,5-di trifluoromethyl phenyl ethan-1-one,3,5-ditrifluoromethylacetophenone,3',5'-bis-trifluoromethylacetophenone |
| IUPAC Name | 1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-one |
| InChI Key | MCYCSIKSZLARBD-UHFFFAOYSA-N |
| Molecular Formula | C10H6F6O |
3-Bromo-5-chlorosalicylaldehyde 96.0+%, TCI America™
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CAS: 19652-32-5 Molecular Formula: C7H4BrClO2 Molecular Weight (g/mol): 235.461 MDL Number: MFCD00051690 InChI Key: KNOYZLVIXXBBIB-UHFFFAOYSA-N Synonym: 3-bromo-5-chlorosalicylaldehyde,3-bromo-5-chlorosalicylic aldehyde,benzaldehyde, 3-bromo-5-chloro-2-hydroxy,3-bromo-5-chloro salicyclic aldehyde,3-bromo-5-chloro-2-hydroxy-benzaldehyde,3-bromo-5-chloro-o-hydroxybenzaldehyde,pubchem3591,acmc-1bs9s,akos bb-6948,knoyzlvixxbbib-uhfffaoysa PubChem CID: 519676 IUPAC Name: 3-bromo-5-chloro-2-hydroxybenzaldehyde SMILES: C1=C(C=C(C(=C1Br)O)C=O)Cl
| PubChem CID | 519676 |
|---|---|
| CAS | 19652-32-5 |
| Molecular Weight (g/mol) | 235.461 |
| MDL Number | MFCD00051690 |
| SMILES | C1=C(C=C(C(=C1Br)O)C=O)Cl |
| Synonym | 3-bromo-5-chlorosalicylaldehyde,3-bromo-5-chlorosalicylic aldehyde,benzaldehyde, 3-bromo-5-chloro-2-hydroxy,3-bromo-5-chloro salicyclic aldehyde,3-bromo-5-chloro-2-hydroxy-benzaldehyde,3-bromo-5-chloro-o-hydroxybenzaldehyde,pubchem3591,acmc-1bs9s,akos bb-6948,knoyzlvixxbbib-uhfffaoysa |
| IUPAC Name | 3-bromo-5-chloro-2-hydroxybenzaldehyde |
| InChI Key | KNOYZLVIXXBBIB-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrClO2 |
4-(2-Hydroxyethoxy)benzaldehyde 98.0+%, TCI America™
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CAS: 22042-73-5 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00191450 InChI Key: VCDGTEZSUNFOKA-UHFFFAOYSA-N PubChem CID: 89178 IUPAC Name: 4-(2-hydroxyethoxy)benzaldehyde SMILES: OCCOC1=CC=C(C=O)C=C1
| PubChem CID | 89178 |
|---|---|
| CAS | 22042-73-5 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00191450 |
| SMILES | OCCOC1=CC=C(C=O)C=C1 |
| IUPAC Name | 4-(2-hydroxyethoxy)benzaldehyde |
| InChI Key | VCDGTEZSUNFOKA-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
4-tert-Butylsulfonylcalix[4]arene 98.0+%, TCI America™
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CAS: 204190-49-8 Molecular Formula: C40H48O12S4 Molecular Weight (g/mol): 849.05 MDL Number: MFCD06797060 InChI Key: BOLKLFFOYGXSKT-UHFFFAOYSA-N Synonym: Tetra-tert-butyl(tetrahydroxy)tetrasulfonylcalix[4]arene PubChem CID: 11445832 IUPAC Name: 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrahydroxy-2λ⁶,8λ⁶,14λ⁶,20λ⁶-tetrathiapentacyclo[19.3.1.1³,⁷.1⁹,¹³.1¹⁵,¹⁹]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaen-2,2,8,8,14,14,20,20-octone SMILES: CC(C)(C)C1=CC2=C(O)C(=C1)S(=O)(=O)C1=CC(=CC(=C1O)S(=O)(=O)C1=CC(=CC(=C1O)S(=O)(=O)C1=C(O)C(=CC(=C1)C(C)(C)C)S2(=O)=O)C(C)(C)C)C(C)(C)C
| PubChem CID | 11445832 |
|---|---|
| CAS | 204190-49-8 |
| Molecular Weight (g/mol) | 849.05 |
| MDL Number | MFCD06797060 |
| SMILES | CC(C)(C)C1=CC2=C(O)C(=C1)S(=O)(=O)C1=CC(=CC(=C1O)S(=O)(=O)C1=CC(=CC(=C1O)S(=O)(=O)C1=C(O)C(=CC(=C1)C(C)(C)C)S2(=O)=O)C(C)(C)C)C(C)(C)C |
| Synonym | Tetra-tert-butyl(tetrahydroxy)tetrasulfonylcalix[4]arene |
| IUPAC Name | 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrahydroxy-2λ⁶,8λ⁶,14λ⁶,20λ⁶-tetrathiapentacyclo[19.3.1.1³,⁷.1⁹,¹³.1¹⁵,¹⁹]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaen-2,2,8,8,14,14,20,20-octone |
| InChI Key | BOLKLFFOYGXSKT-UHFFFAOYSA-N |
| Molecular Formula | C40H48O12S4 |
1,2-Dichloroethyl Ethyl Ether 93.0+%, TCI America™
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CAS: 623-46-1 Molecular Formula: C4H8Cl2O Molecular Weight (g/mol): 143.01 MDL Number: MFCD00041730 InChI Key: NNBUKAPOVBEMNI-UHFFFAOYNA-N Synonym: 1,2-Dichlorodiethyl Ether PubChem CID: 79077 IUPAC Name: 1,2-dichloro-1-ethoxyethane SMILES: CCOC(Cl)CCl
| PubChem CID | 79077 |
|---|---|
| CAS | 623-46-1 |
| Molecular Weight (g/mol) | 143.01 |
| MDL Number | MFCD00041730 |
| SMILES | CCOC(Cl)CCl |
| Synonym | 1,2-Dichlorodiethyl Ether |
| IUPAC Name | 1,2-dichloro-1-ethoxyethane |
| InChI Key | NNBUKAPOVBEMNI-UHFFFAOYNA-N |
| Molecular Formula | C4H8Cl2O |