Unclassified Organic Compounds

Organic compounds that do not fit into any other organic chemical classification.

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766 – 780 of 203,284 results

766

TraceCERT™ β-Cyfluthrin, Certified Reference Material, MilliporeSigma™ Supelco™

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to the SI through a primary reference material from a NMI. Certified content incl. uncertainty and expiry date are stated on the enclosed certificate.

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767

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2-Amino-4,4,4-trifluorobutyric acid, 97%

CAS: 15959-93-0 Molecular Formula: C4H6F3NO2 Molecular Weight (g/mol): 157.092 MDL Number: MFCD00041417 InChI Key: AQPCXCOPDSEKQT-UHFFFAOYSA-N PubChem CID: 353083 IUPAC Name: 2-amino-4,4,4-trifluorobutanoic acid SMILES: C(C(C(=O)O)N)C(F)(F)F

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Specifications

PubChem CID	353083
CAS	15959-93-0
Molecular Weight (g/mol)	157.092
MDL Number	MFCD00041417
SMILES	C(C(C(=O)O)N)C(F)(F)F
IUPAC Name	2-amino-4,4,4-trifluorobutanoic acid
InChI Key	AQPCXCOPDSEKQT-UHFFFAOYSA-N
Molecular Formula	C4H6F3NO2

768

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Methyltitanium(IV) triisopropoxide, 1M solution in THF, AcroSeal™

CAS: 18006-13-8 Molecular Formula: C₁₀H₂₄O₃Ti Molecular Weight (g/mol): 240.18 MDL Number: MFCD03411233 InChI Key: QBLPAZNBFFURKB-UHFFFAOYSA-N Synonym: titanium, methyltripropoxy,titanium,methyltris 2-propanolato-, t-4,methyltitanium triisopropoxide, 1m in tetrahydrofuran PubChem CID: 144064 IUPAC Name: carbanide;propan-2-ol;titanium SMILES: [CH3-].CC(C)O.CC(C)O.CC(C)O.[Ti]

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Specifications

PubChem CID	144064
CAS	18006-13-8
Molecular Weight (g/mol)	240.18
MDL Number	MFCD03411233
SMILES	[CH3-].CC(C)O.CC(C)O.CC(C)O.[Ti]
Synonym	titanium, methyltripropoxy,titanium,methyltris 2-propanolato-, t-4,methyltitanium triisopropoxide, 1m in tetrahydrofuran
IUPAC Name	carbanide;propan-2-ol;titanium
InChI Key	QBLPAZNBFFURKB-UHFFFAOYSA-N
Molecular Formula	C₁₀H₂₄O₃Ti

769

N-Benzyloxycarbonyl-L-glutamic acid gamma-tert-butyl ester, 98+%, Thermo Scientific Chemicals

CAS: 3886-08-6 Molecular Formula: C₁₇H₂₃NO₆ Molecular Weight (g/mol): 337.37 MDL Number: MFCD00038274 InChI Key: GLMODRZPPBZPPB-ZDUSSCGKSA-M IUPAC Name: (2S)-2-{[(benzyloxy)carbonyl]amino}-5-(tert-butoxy)-5-oxopentanoate SMILES: CC(C)(C)OC(=O)CC[C@H](NC(=O)OCC1=CC=CC=C1)C([O-])=O

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Specifications

CAS	3886-08-6
Molecular Weight (g/mol)	337.37
MDL Number	MFCD00038274
SMILES	CC(C)(C)OC(=O)CC[C@H](NC(=O)OCC1=CC=CC=C1)C([O-])=O
IUPAC Name	(2S)-2-{[(benzyloxy)carbonyl]amino}-5-(tert-butoxy)-5-oxopentanoate
InChI Key	GLMODRZPPBZPPB-ZDUSSCGKSA-M
Molecular Formula	C₁₇H₂₃NO₆

770

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2,2-Dimethylcyclohexanone

CAS: 1193-47-1 Molecular Formula: C₈H₁₄O Molecular Weight (g/mol): 126.2 InChI Key: KNSPBSQWRKKAPI-UHFFFAOYSA-N Synonym: 2,2-dimethylcyclohexanone,cyclohexanone, 2,2-dimethyl,dimethylcyclohexanone,cyclohexanone, dimethyl,6,6-dimethylcyclohexanone,cyclohexanone,2-dimethyl,acmc-20a0u6,2,2-dimethyl-cyclohexanone,cyclohexanone,2,2-dimethyl,2,2-dimethyl-1-cyclohexanone PubChem CID: 136929 IUPAC Name: 2,2-dimethylcyclohexan-1-one SMILES: CC1(CCCCC1=O)C

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Specifications

PubChem CID	136929
CAS	1193-47-1
Molecular Weight (g/mol)	126.2
SMILES	CC1(CCCCC1=O)C
Synonym	2,2-dimethylcyclohexanone,cyclohexanone, 2,2-dimethyl,dimethylcyclohexanone,cyclohexanone, dimethyl,6,6-dimethylcyclohexanone,cyclohexanone,2-dimethyl,acmc-20a0u6,2,2-dimethyl-cyclohexanone,cyclohexanone,2,2-dimethyl,2,2-dimethyl-1-cyclohexanone
IUPAC Name	2,2-dimethylcyclohexan-1-one
InChI Key	KNSPBSQWRKKAPI-UHFFFAOYSA-N
Molecular Formula	C₈H₁₄O

771

Ferrocenoyl chloride, For HPLC derivatization, ≥96.0% (AT), MilliporeSigma™ Supelco™

Synonym: 1-Chlorocarbonylferrocene

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Specifications

Synonym	1-Chlorocarbonylferrocene

772

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Azomethine-H monosodium salt hydrate

CAS: 206752-32-1 Molecular Formula: C17H12NNaO8S2 Molecular Weight (g/mol): 445.39 MDL Number: MFCD00010498 InChI Key: GRYBZNLNHVSHPY-UHFFFAOYSA-M Synonym: sodium 5-hydroxy-4-2-hydroxybenzylidene amino-7-sulfonaphthalene-2-sulfonate hydrate,sodium 5-hydroxy-4-e-2-hydroxyphenyl methylidene amino-7-sulfonaphthalene-2-sulfonate hydrate,azomethin-h monosodium salt hydrate,4-hydroxy-5-e-2-hydroxyphenyl methylidene amino-7-sodiooxysulfonyl naphthalene-2-sulfonic acid hydrate,sodium 5-hydroxy-4-2-hydroxyphenyl methylidene amino-7-sulfonaphthalene-2-sulfonate hydrate PubChem CID: 122198137 SMILES: [Na+].OC1=C2C(NC=C3C=CC=CC3=O)=CC(=CC2=CC(=C1)S([O-])(=O)=O)S(O)(=O)=O

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Specifications

PubChem CID	122198137
CAS	206752-32-1
Molecular Weight (g/mol)	445.39
MDL Number	MFCD00010498
SMILES	[Na+].OC1=C2C(NC=C3C=CC=CC3=O)=CC(=CC2=CC(=C1)S([O-])(=O)=O)S(O)(=O)=O
Synonym	sodium 5-hydroxy-4-2-hydroxybenzylidene amino-7-sulfonaphthalene-2-sulfonate hydrate,sodium 5-hydroxy-4-e-2-hydroxyphenyl methylidene amino-7-sulfonaphthalene-2-sulfonate hydrate,azomethin-h monosodium salt hydrate,4-hydroxy-5-e-2-hydroxyphenyl methylidene amino-7-sodiooxysulfonyl naphthalene-2-sulfonic acid hydrate,sodium 5-hydroxy-4-2-hydroxyphenyl methylidene amino-7-sulfonaphthalene-2-sulfonate hydrate
InChI Key	GRYBZNLNHVSHPY-UHFFFAOYSA-M
Molecular Formula	C17H12NNaO8S2

773

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Salicylaldoxime, 98%

CAS: 94-67-7 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00002120 InChI Key: GFCNBJDXQMZOOC-WAYWQWQTSA-N Synonym: salicylaldoxime,2-hydroxybenzaldehyde oxime,salicylaldehyde oxime,2-hydroxyimino methyl phenol,6-hydroxyamino methylidene cyclohexa-2,4-dien-1-one,e-2-hydroxybenzaldehyde oxime,orihzizptztncu-uhfffaoysa-n,orihzizptztncu-vmpitwqzsa-n,2-1e-hydroxyimino methyl phenol,salicylideneaminoalcohol PubChem CID: 6740756 IUPAC Name: 6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one SMILES: ON\C=C1\C=CC=CC1=O

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Specifications

PubChem CID	6740756
CAS	94-67-7
Molecular Weight (g/mol)	137.14
MDL Number	MFCD00002120
SMILES	ON\C=C1\C=CC=CC1=O
Synonym	salicylaldoxime,2-hydroxybenzaldehyde oxime,salicylaldehyde oxime,2-hydroxyimino methyl phenol,6-hydroxyamino methylidene cyclohexa-2,4-dien-1-one,e-2-hydroxybenzaldehyde oxime,orihzizptztncu-uhfffaoysa-n,orihzizptztncu-vmpitwqzsa-n,2-1e-hydroxyimino methyl phenol,salicylideneaminoalcohol
IUPAC Name	6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one
InChI Key	GFCNBJDXQMZOOC-WAYWQWQTSA-N
Molecular Formula	C7H7NO2

774

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Methylcobalamin hydrate, 97%

CAS: 288315-09-3 Molecular Formula: C63H91CoN13O14P- Molecular Weight (g/mol): 1344.405 MDL Number: MFCD00149221 InChI Key: QXOMMGINPOYKPR-YHKGLSPZSA-L Synonym: methylcobalamin PubChem CID: 134128059 IUPAC Name: carbanide;cobalt(2+);[(2S,3R,4S,5R)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2S)-1-[3-[(1S,2S,3S,5Z,7R,10Z,12R,13R,15Z,17R,18R,19S)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-o SMILES: [CH3-].CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co+2]

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Specifications

PubChem CID	134128059
CAS	288315-09-3
Molecular Weight (g/mol)	1344.405
MDL Number	MFCD00149221
SMILES	[CH3-].CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co+2]
Synonym	methylcobalamin
IUPAC Name	carbanide;cobalt(2+);[(2S,3R,4S,5R)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2S)-1-[3-[(1S,2S,3S,5Z,7R,10Z,12R,13R,15Z,17R,18R,19S)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-o
InChI Key	QXOMMGINPOYKPR-YHKGLSPZSA-L
Molecular Formula	C63H91CoN13O14P-

775

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1,2:5,6-Di-O-isopropylidene-D-mannitol

CAS: 1707-77-3 Molecular Formula: C12H22O6 Molecular Weight (g/mol): 262.302 MDL Number: MFCD00003211 InChI Key: ODYBCPSCYHAGHA-ZYUZMQFOSA-N Synonym: 1,2:5,6-di-o-isopropylidene-d-mannitol,d-mannitol diacetonide,1,2:5,6-bis-o-1-methylethylidene-d-mannitol,d-mannitol 1,2:5,6-bis-acetonide,1s,2s-1,2-bis 4r-2,2-dimethyl-1,3-dioxolan-4-yl ethane-1,2-diol,1s,2s-1,2-bis r-2,2-dimethyl-1,3-dioxolan-4-yl ethane-1,2-diol,1,2,5,6-di-o-isopropylidene-d-mannitol,mannitol diacetonide,diacetone-d-mannitol,zlchem 213 PubChem CID: 96011 IUPAC Name: (1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol SMILES: CC1(OCC(O1)C(C(C2COC(O2)(C)C)O)O)C

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Specifications

PubChem CID	96011
CAS	1707-77-3
Molecular Weight (g/mol)	262.302
MDL Number	MFCD00003211
SMILES	CC1(OCC(O1)C(C(C2COC(O2)(C)C)O)O)C
Synonym	1,2:5,6-di-o-isopropylidene-d-mannitol,d-mannitol diacetonide,1,2:5,6-bis-o-1-methylethylidene-d-mannitol,d-mannitol 1,2:5,6-bis-acetonide,1s,2s-1,2-bis 4r-2,2-dimethyl-1,3-dioxolan-4-yl ethane-1,2-diol,1s,2s-1,2-bis r-2,2-dimethyl-1,3-dioxolan-4-yl ethane-1,2-diol,1,2,5,6-di-o-isopropylidene-d-mannitol,mannitol diacetonide,diacetone-d-mannitol,zlchem 213
IUPAC Name	(1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
InChI Key	ODYBCPSCYHAGHA-ZYUZMQFOSA-N
Molecular Formula	C12H22O6

776

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N-Boc-L-leucine hydrate, 99%, Thermo Scientific Chemicals

CAS: 13139-15-6 Molecular Formula: C11H21NO4 Molecular Weight (g/mol): 231.29 MDL Number: MFCD00066067 InChI Key: MDXGYYOJGPFFJL-SVGMAFHSNA-N Synonym: boc-leu-oh,boc-l-leucine,n-tert-butoxycarbonyl-l-leucine,n-boc-l-leucine,tert-butoxycarbonyl-l-leucine,tert-butoxycarbonylleucine,s-2-tert-butoxycarbonyl amino-4-methylpentanoic acid,n-tert-butoxycarbonylleucine,boc-l-leu-oh,tert-butyloxycarbonyl-l-leucine PubChem CID: 83170 ChEBI: CHEBI:28702 IUPAC Name: (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid SMILES: CC(C)C[C@H](NC(=O)OC(C)(C)C)C(O)=O

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Specifications

PubChem CID	83170
CAS	13139-15-6
Molecular Weight (g/mol)	231.29
ChEBI	CHEBI:28702
MDL Number	MFCD00066067
SMILES	CC(C)C[C@H](NC(=O)OC(C)(C)C)C(O)=O
Synonym	boc-leu-oh,boc-l-leucine,n-tert-butoxycarbonyl-l-leucine,n-boc-l-leucine,tert-butoxycarbonyl-l-leucine,tert-butoxycarbonylleucine,s-2-tert-butoxycarbonyl amino-4-methylpentanoic acid,n-tert-butoxycarbonylleucine,boc-l-leu-oh,tert-butyloxycarbonyl-l-leucine
IUPAC Name	(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
InChI Key	MDXGYYOJGPFFJL-SVGMAFHSNA-N
Molecular Formula	C11H21NO4

777

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Kojic acid, 99%

CAS: 501-30-4 Molecular Formula: C6H6O4 Molecular Weight (g/mol): 142.11 MDL Number: MFCD00006580 InChI Key: BEJNERDRQOWKJM-UHFFFAOYSA-N Synonym: kojic acid,5-hydroxy-2-hydroxymethyl-4h-pyran-4-one,5-hydroxy-2-hydroxymethyl-4-pyrone,4h-pyran-4-one, 5-hydroxy-2-hydroxymethyl,5-hydroxy-2-hydroxymethyl pyran-4-one,acido kojico,2-hydroxymethyl-5-hydroxy-gamma-pyrone,2-hydroxymethyl-5-hydroxy-4h-pyran-4-one,unii-6k23f1tt52 PubChem CID: 3840 ChEBI: CHEBI:43572 IUPAC Name: 5-hydroxy-2-(hydroxymethyl)pyran-4-one SMILES: OCC1=CC(=O)C(O)=CO1

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Specifications

PubChem CID	3840
CAS	501-30-4
Molecular Weight (g/mol)	142.11
ChEBI	CHEBI:43572
MDL Number	MFCD00006580
SMILES	OCC1=CC(=O)C(O)=CO1
Synonym	kojic acid,5-hydroxy-2-hydroxymethyl-4h-pyran-4-one,5-hydroxy-2-hydroxymethyl-4-pyrone,4h-pyran-4-one, 5-hydroxy-2-hydroxymethyl,5-hydroxy-2-hydroxymethyl pyran-4-one,acido kojico,2-hydroxymethyl-5-hydroxy-gamma-pyrone,2-hydroxymethyl-5-hydroxy-4h-pyran-4-one,unii-6k23f1tt52
IUPAC Name	5-hydroxy-2-(hydroxymethyl)pyran-4-one
InChI Key	BEJNERDRQOWKJM-UHFFFAOYSA-N
Molecular Formula	C6H6O4

778

Lithium tetraborate trihydrate, 96%

CAS: 37195-62-3 Molecular Formula: Li₂B₄O₇·3H₂O MDL Number: MFCD00167253 Synonym: lithium borate trihydrate,acmc-1ajhy,trilithium 1+ trihydrate borate,trilithium 1+ ion trihydrate borate

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Specifications

CAS	37195-62-3
MDL Number	MFCD00167253
Synonym	lithium borate trihydrate,acmc-1ajhy,trilithium 1+ trihydrate borate,trilithium 1+ ion trihydrate borate
Molecular Formula	Li₂B₄O₇·3H₂O

779

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1,4-Cyclohexanedione monoethylene acetal, 97%

CAS: 4746-97-8 Molecular Formula: C8H12O3 Molecular Weight (g/mol): 156.181 MDL Number: MFCD00010214 InChI Key: VKRKCBWIVLSRBJ-UHFFFAOYSA-N Synonym: 1,4-dioxaspiro 4.5 decan-8-one,1,4-cyclohexanedione monoethylene acetal,1,4-cyclohexanedione monoethylene ketal,1,4-cyclohexanedione monoethyleneacetal,1,4-dioxa-spiro 4.5 decan-8-one,1,4-cyclohexanedione monoethyleneketal,cyclohexane-1,4-dione monoethylene ketal,1,4-dioxaspiro 4.5 decane-8-one PubChem CID: 567415 IUPAC Name: 1,4-dioxaspiro[4.5]decan-8-one SMILES: C1CC2(CCC1=O)OCCO2

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Specifications

PubChem CID	567415
CAS	4746-97-8
Molecular Weight (g/mol)	156.181
MDL Number	MFCD00010214
SMILES	C1CC2(CCC1=O)OCCO2
Synonym	1,4-dioxaspiro 4.5 decan-8-one,1,4-cyclohexanedione monoethylene acetal,1,4-cyclohexanedione monoethylene ketal,1,4-cyclohexanedione monoethyleneacetal,1,4-dioxa-spiro 4.5 decan-8-one,1,4-cyclohexanedione monoethyleneketal,cyclohexane-1,4-dione monoethylene ketal,1,4-dioxaspiro 4.5 decane-8-one
IUPAC Name	1,4-dioxaspiro[4.5]decan-8-one
InChI Key	VKRKCBWIVLSRBJ-UHFFFAOYSA-N
Molecular Formula	C8H12O3

780

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Cholesteryl chloride, 98%, Thermo Scientific Chemicals

CAS: 910-31-6 Molecular Formula: C27H45Cl Molecular Weight (g/mol): 405.107 MDL Number: MFCD00003632 InChI Key: OTVRYZXVVMZHHW-DGPGEHMFSA-N Synonym: cholesterylchloride PubChem CID: 131632519 IUPAC Name: (8S,9R,10R,13R,14S,17R)-3-chloro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)Cl)C)C

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Specifications

PubChem CID	131632519
CAS	910-31-6
Molecular Weight (g/mol)	405.107
MDL Number	MFCD00003632
SMILES	CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)Cl)C)C
Synonym	cholesterylchloride
IUPAC Name	(8S,9R,10R,13R,14S,17R)-3-chloro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
InChI Key	OTVRYZXVVMZHHW-DGPGEHMFSA-N
Molecular Formula	C27H45Cl

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