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Organic compounds

Organic compounds are a class of chemical compounds that contain one or more atoms of carbon covalently bonded to each other and atoms of other elements such as hydrogen, oxygen, nitrogen, sulfur, etc.

Compounds or allotropes of carbon that contain only carbon atoms are classified as inorganic compounds and exhibit novel properties.

This class of chemicals has a wide range of applications and includes graphite, diamond, and the more recently discovered graphene, fullerenes, and other carbon nanotubes. In fact, the majority of elements in the periodic table of elements are inorganic compounds.

Unclassified Organic Compounds (209)
Organoheterocyclic compounds (157)
Benzenoids (58)
Phenylpropanoids and polyketides (12)
Organooxygen compounds (10)
Organic acids and derivatives (8)
Sulfonyl halides (5)
Hydrocarbons (5)
Organonitrogen Compounds (4)
Organic oxides (3)
Hydrocarbon derivatives (2)
Alkyl Halides (2)
Aryl halides (1)

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1

Thermo Scientific Chemicals Formaldehyde, 37% w/w aq. soln., stab. with 7-8% methanol

CAS: 50-00-0 Molecular Formula: CH2O Molecular Weight (g/mol): 30.03 MDL Number: MFCD00003274 InChI Key: WSFSSNUMVMOOMR-UHFFFAOYSA-N Synonym: formalin,methanal,formol,methylene oxide,paraformaldehyde,oxomethane,paraform,formic aldehyde,oxymethylene,methyl aldehyde PubChem CID: 712 ChEBI: CHEBI:16842 IUPAC Name: formaldehyde SMILES: C=O

PubChem CID 712
CAS 50-00-0
Molecular Weight (g/mol) 30.03
ChEBI CHEBI:16842
MDL Number MFCD00003274
SMILES C=O
Synonym formalin,methanal,formol,methylene oxide,paraformaldehyde,oxomethane,paraform,formic aldehyde,oxymethylene,methyl aldehyde
IUPAC Name formaldehyde
InChI Key WSFSSNUMVMOOMR-UHFFFAOYSA-N
Molecular Formula CH2O
2

Methylcyclopentane 96.0+%, TCI America™

CAS: 96-37-7 Molecular Formula: C6H12 Molecular Weight (g/mol): 84.162 MDL Number: MFCD00001382 InChI Key: GDOPTJXRTPNYNR-UHFFFAOYSA-N Synonym: cyclopentane, methyl,methyl cyclopentane,methylpentamethylene,unii-5g26cc1ask,methyl-cyclopentane,ccris 6058,hsdb 876,5g26cc1ask,un2298 flammable liquid,3-methylcyclopentyl PubChem CID: 7296 IUPAC Name: methylcyclopentane SMILES: CC1CCCC1

PubChem CID 7296
CAS 96-37-7
Molecular Weight (g/mol) 84.162
MDL Number MFCD00001382
SMILES CC1CCCC1
Synonym cyclopentane, methyl,methyl cyclopentane,methylpentamethylene,unii-5g26cc1ask,methyl-cyclopentane,ccris 6058,hsdb 876,5g26cc1ask,un2298 flammable liquid,3-methylcyclopentyl
IUPAC Name methylcyclopentane
InChI Key GDOPTJXRTPNYNR-UHFFFAOYSA-N
Molecular Formula C6H12
3

2,7-Dibromotriphenylene 98.0+%, TCI America™

CAS: 888041-37-0 Molecular Formula: C18H10Br2 Molecular Weight (g/mol): 386.086 MDL Number: MFCD22571695 InChI Key: BPGPBYGXGRDFQG-UHFFFAOYSA-N PubChem CID: 16122224 IUPAC Name: 2,7-dibromotriphenylene SMILES: C1=CC=C2C(=C1)C3=C(C=CC(=C3)Br)C4=C2C=C(C=C4)Br

PubChem CID 16122224
CAS 888041-37-0
Molecular Weight (g/mol) 386.086
MDL Number MFCD22571695
SMILES C1=CC=C2C(=C1)C3=C(C=CC(=C3)Br)C4=C2C=C(C=C4)Br
IUPAC Name 2,7-dibromotriphenylene
InChI Key BPGPBYGXGRDFQG-UHFFFAOYSA-N
Molecular Formula C18H10Br2
4

1,3-Diaminopentane 96.0+%, TCI America™

CAS: 589-37-7 Molecular Formula: C5H14N2 Molecular Weight (g/mol): 102.181 MDL Number: MFCD00134550 InChI Key: WTSXICLFTPPDTL-UHFFFAOYSA-N Synonym: 1,3-Pentanediamine PubChem CID: 102444 IUPAC Name: pentane-1,3-diamine SMILES: CCC(CCN)N

PubChem CID 102444
CAS 589-37-7
Molecular Weight (g/mol) 102.181
MDL Number MFCD00134550
SMILES CCC(CCN)N
Synonym 1,3-Pentanediamine
IUPAC Name pentane-1,3-diamine
InChI Key WTSXICLFTPPDTL-UHFFFAOYSA-N
Molecular Formula C5H14N2
5

2-Bromobenzonitrile 98.0+%, TCI America™

CAS: 2042-37-7 Molecular Formula: C7H4BrN Molecular Weight (g/mol): 182.02 MDL Number: MFCD00001772 InChI Key: AFMPMSCZPVNPEM-UHFFFAOYSA-N Synonym: o-bromobenzonitrile,1-bromo-2-cyanobenzene,benzonitrile, 2-bromo,benzonitrile, o-bromo,2-bromobenzenecarbonitrile,o-bromocyanobenzene,2-cyanobromobenzene,2-bromo-benzonitrile,bromobenzonitrile 2-,bromobenzonitrile PubChem CID: 16272 IUPAC Name: 2-bromobenzonitrile SMILES: BrC1=CC=CC=C1C#N

PubChem CID 16272
CAS 2042-37-7
Molecular Weight (g/mol) 182.02
MDL Number MFCD00001772
SMILES BrC1=CC=CC=C1C#N
Synonym o-bromobenzonitrile,1-bromo-2-cyanobenzene,benzonitrile, 2-bromo,benzonitrile, o-bromo,2-bromobenzenecarbonitrile,o-bromocyanobenzene,2-cyanobromobenzene,2-bromo-benzonitrile,bromobenzonitrile 2-,bromobenzonitrile
IUPAC Name 2-bromobenzonitrile
InChI Key AFMPMSCZPVNPEM-UHFFFAOYSA-N
Molecular Formula C7H4BrN
6

3-Ethyl-2-methylbenzoxazolium Iodide 98.0+%, TCI America™

CAS: 5260-37-7 Molecular Formula: C10H12INO Molecular Weight (g/mol): 289.12 MDL Number: MFCD00044141 InChI Key: UZWYLWSUBQEUMC-UHFFFAOYSA-M Synonym: 3-ethyl-2-methylbenzoxazolium iodide,3-ethyl-2-methylbenzo d oxazol-3-ium iodide,2-methyl-3-ethylbenzoxazolium iodide,benzoxazolium, 3-ethyl-2-methyl-, iodide,benzoxazolium, 3-ethyl-2-methyl-, iodide 1:1,3-ethyl-2-methyl-1,3-benzoxazol-3-ium iodide,3-ethyl-2-methylbenzoxazoliumiodide,acmc-209l0h,ethyl-2-methyl-benzoxazolium iodide,3-ethyl-2-methylbenzoxazolium iodide, technical grade PubChem CID: 21331 IUPAC Name: 3-ethyl-2-methyl-1,3-benzoxazol-3-ium iodide SMILES: [I-].CC[N+]1=C(C)OC2=CC=CC=C12

PubChem CID 21331
CAS 5260-37-7
Molecular Weight (g/mol) 289.12
MDL Number MFCD00044141
SMILES [I-].CC[N+]1=C(C)OC2=CC=CC=C12
Synonym 3-ethyl-2-methylbenzoxazolium iodide,3-ethyl-2-methylbenzo d oxazol-3-ium iodide,2-methyl-3-ethylbenzoxazolium iodide,benzoxazolium, 3-ethyl-2-methyl-, iodide,benzoxazolium, 3-ethyl-2-methyl-, iodide 1:1,3-ethyl-2-methyl-1,3-benzoxazol-3-ium iodide,3-ethyl-2-methylbenzoxazoliumiodide,acmc-209l0h,ethyl-2-methyl-benzoxazolium iodide,3-ethyl-2-methylbenzoxazolium iodide, technical grade
IUPAC Name 3-ethyl-2-methyl-1,3-benzoxazol-3-ium iodide
InChI Key UZWYLWSUBQEUMC-UHFFFAOYSA-M
Molecular Formula C10H12INO
7

1-Bromo-3,5-dimethyladamantane 98.0+%, TCI America™

CAS: 941-37-7 Molecular Formula: C12H19Br Molecular Weight (g/mol): 243.188 MDL Number: MFCD00077197 InChI Key: QUCXLVDIVQWYJR-UHFFFAOYSA-N Synonym: 1-bromo-3,5-dimethyl-adamantane,tricyclo 3.3.1.13,7 decane, 1-bromo-3,5-dimethyl,acmc-209rqd,3,5-dimethyladamantylbromide,1-bromo-3,5-dimethyltricyclo 3.3.1.13,7 decane,1-bromo-3,5dimethyladamantane,3,5-dimethyl-1-bromoadamantane,1-bromo-3,5-dimethyl adamantane,1-bromanyl-3,5-dimethyl-adamantane,1-?bromo-?3,5-?dimethyladamantane PubChem CID: 98317 IUPAC Name: 1-bromo-3,5-dimethyladamantane SMILES: CC12CC3CC(C1)(CC(C3)(C2)Br)C

PubChem CID 98317
CAS 941-37-7
Molecular Weight (g/mol) 243.188
MDL Number MFCD00077197
SMILES CC12CC3CC(C1)(CC(C3)(C2)Br)C
Synonym 1-bromo-3,5-dimethyl-adamantane,tricyclo 3.3.1.13,7 decane, 1-bromo-3,5-dimethyl,acmc-209rqd,3,5-dimethyladamantylbromide,1-bromo-3,5-dimethyltricyclo 3.3.1.13,7 decane,1-bromo-3,5dimethyladamantane,3,5-dimethyl-1-bromoadamantane,1-bromo-3,5-dimethyl adamantane,1-bromanyl-3,5-dimethyl-adamantane,1-?bromo-?3,5-?dimethyladamantane
IUPAC Name 1-bromo-3,5-dimethyladamantane
InChI Key QUCXLVDIVQWYJR-UHFFFAOYSA-N
Molecular Formula C12H19Br
8

5-Hydroxy-2-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 610-37-7 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.119 MDL Number: MFCD00017566 InChI Key: BUHKQTKKZAXSMH-UHFFFAOYSA-N PubChem CID: 11882 SMILES: C1=CC(=C(C=C1O)C(=O)O)[N+](=O)[O-]

PubChem CID 11882
CAS 610-37-7
Molecular Weight (g/mol) 183.119
MDL Number MFCD00017566
SMILES C1=CC(=C(C=C1O)C(=O)O)[N+](=O)[O-]
InChI Key BUHKQTKKZAXSMH-UHFFFAOYSA-N
Molecular Formula C7H5NO5
9

Benzyl Butyrate 97.0+%, TCI America™

CAS: 103-37-7 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00027133 InChI Key: VONGZNXBKCOUHB-UHFFFAOYSA-N Synonym: benzyl butyrate,benzyl n-butyrate,butanoic acid, phenylmethyl ester,phenylmethyl butanoate,benzyl n-butanoate,butyric acid, benzyl ester,phenylmethyl butyrate,benzylester kyseliny maselne,benzylbutyrate,benzyl butyrate natural PubChem CID: 7650 IUPAC Name: benzyl butanoate SMILES: CCCC(=O)OCC1=CC=CC=C1

PubChem CID 7650
CAS 103-37-7
Molecular Weight (g/mol) 178.231
MDL Number MFCD00027133
SMILES CCCC(=O)OCC1=CC=CC=C1
Synonym benzyl butyrate,benzyl n-butyrate,butanoic acid, phenylmethyl ester,phenylmethyl butanoate,benzyl n-butanoate,butyric acid, benzyl ester,phenylmethyl butyrate,benzylester kyseliny maselne,benzylbutyrate,benzyl butyrate natural
IUPAC Name benzyl butanoate
InChI Key VONGZNXBKCOUHB-UHFFFAOYSA-N
Molecular Formula C11H14O2
10

2-Fluoro-7,7,8,8-tetracyanoquinodimethane 98.0+%, TCI America™

CAS: 69857-37-0 Molecular Formula: C12H3FN4 Molecular Weight (g/mol): 222.18 MDL Number: MFCD08276377 InChI Key: BXPLEMMFZOKIHP-UHFFFAOYSA-N Synonym: FTCNQ PubChem CID: 19748576 IUPAC Name: 2-[4-(dicyanomethylidene)-2-fluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile SMILES: FC1=CC(C=CC1=C(C#N)C#N)=C(C#N)C#N

PubChem CID 19748576
CAS 69857-37-0
Molecular Weight (g/mol) 222.18
MDL Number MFCD08276377
SMILES FC1=CC(C=CC1=C(C#N)C#N)=C(C#N)C#N
Synonym FTCNQ
IUPAC Name 2-[4-(dicyanomethylidene)-2-fluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile
InChI Key BXPLEMMFZOKIHP-UHFFFAOYSA-N
Molecular Formula C12H3FN4
11

1,1,1-Trifluoro-3-iodopropane 98.0+%, TCI America™

CAS: 460-37-7 Molecular Formula: C3H4F3I Molecular Weight (g/mol): 223.965 MDL Number: MFCD00038531 InChI Key: ULIYQAUQKZDZOX-UHFFFAOYSA-N Synonym: 1-iodo-3,3,3-trifluoropropane,3,3,3-trifluoropropyl iodide,3-iodo-1,1,1-trifluoropropane,1-iodo-3,3,3-trifluoro propane,3,3,3-trifluoropropyliodide,1-iodo-2-perfluoroalkyl ethane,1,1,1-trifluoro-3-iodo-propane,propane, 1,1,1-trifluoro-3-iodo,trifluoroiodopropane PubChem CID: 156165 IUPAC Name: 1,1,1-trifluoro-3-iodopropane SMILES: C(CI)C(F)(F)F

PubChem CID 156165
CAS 460-37-7
Molecular Weight (g/mol) 223.965
MDL Number MFCD00038531
SMILES C(CI)C(F)(F)F
Synonym 1-iodo-3,3,3-trifluoropropane,3,3,3-trifluoropropyl iodide,3-iodo-1,1,1-trifluoropropane,1-iodo-3,3,3-trifluoro propane,3,3,3-trifluoropropyliodide,1-iodo-2-perfluoroalkyl ethane,1,1,1-trifluoro-3-iodo-propane,propane, 1,1,1-trifluoro-3-iodo,trifluoroiodopropane
IUPAC Name 1,1,1-trifluoro-3-iodopropane
InChI Key ULIYQAUQKZDZOX-UHFFFAOYSA-N
Molecular Formula C3H4F3I
12

1,3-Dipropoxybenzene 98.0+%, TCI America™

CAS: 56106-37-7 Molecular Formula: C12H18O2 Molecular Weight (g/mol): 194.27 MDL Number: MFCD00059402 InChI Key: UTFRNSPYRPYKDV-UHFFFAOYSA-N Synonym: Resorcinol Dipropyl Ether PubChem CID: 573684 IUPAC Name: 1,3-dipropoxybenzene SMILES: CCCOC1=CC(OCCC)=CC=C1

PubChem CID 573684
CAS 56106-37-7
Molecular Weight (g/mol) 194.27
MDL Number MFCD00059402
SMILES CCCOC1=CC(OCCC)=CC=C1
Synonym Resorcinol Dipropyl Ether
IUPAC Name 1,3-dipropoxybenzene
InChI Key UTFRNSPYRPYKDV-UHFFFAOYSA-N
Molecular Formula C12H18O2
13

7-(2-Hydroxyethyl)theophylline 98.0+%, TCI America™

CAS: 519-37-9 Molecular Formula: C9H12N4O3 Molecular Weight (g/mol): 224.22 MDL Number: MFCD00055055 InChI Key: NWPRCRWQMGIBOT-UHFFFAOYSA-N Synonym: Etofylline PubChem CID: 1892 IUPAC Name: 7-(2-hydroxyethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione SMILES: CN1C2=C(N(CCO)C=N2)C(=O)N(C)C1=O

PubChem CID 1892
CAS 519-37-9
Molecular Weight (g/mol) 224.22
MDL Number MFCD00055055
SMILES CN1C2=C(N(CCO)C=N2)C(=O)N(C)C1=O
Synonym Etofylline
IUPAC Name 7-(2-hydroxyethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
InChI Key NWPRCRWQMGIBOT-UHFFFAOYSA-N
Molecular Formula C9H12N4O3
14

4-Bromo-1,2-phenylenediamine 96.0+%, TCI America™

CAS: 1575-37-7 Molecular Formula: C6H7BrN2 Molecular Weight (g/mol): 187.04 MDL Number: MFCD02660622 InChI Key: WIHHVKUARKTSBU-UHFFFAOYSA-N Synonym: 4-bromo-1,2-benzenediamine,4-bromo-1,2-diaminobenzene,4-bromo-o-phenylenediamine,1,2-diamino-4-bromobenzene,2-amino-4-bromoaniline,4-bromo-1,2-phenylenediamine,4-bromo-2-aminoaniline,1,2-benzenediamine, 4-bromo,2-amino-4-bromophenylamine,4-bromophenylene-1,2-diamine PubChem CID: 323593 IUPAC Name: 4-bromobenzene-1,2-diamine SMILES: NC1=CC=C(Br)C=C1N

PubChem CID 323593
CAS 1575-37-7
Molecular Weight (g/mol) 187.04
MDL Number MFCD02660622
SMILES NC1=CC=C(Br)C=C1N
Synonym 4-bromo-1,2-benzenediamine,4-bromo-1,2-diaminobenzene,4-bromo-o-phenylenediamine,1,2-diamino-4-bromobenzene,2-amino-4-bromoaniline,4-bromo-1,2-phenylenediamine,4-bromo-2-aminoaniline,1,2-benzenediamine, 4-bromo,2-amino-4-bromophenylamine,4-bromophenylene-1,2-diamine
IUPAC Name 4-bromobenzene-1,2-diamine
InChI Key WIHHVKUARKTSBU-UHFFFAOYSA-N
Molecular Formula C6H7BrN2
15

Theophylline-7-acetic Acid 98.0+%, TCI America™

CAS: 652-37-9 Molecular Formula: C9H9N4NaO4 Molecular Weight (g/mol): 260.19 MDL Number: MFCD00022832 InChI Key: MSFVZSOKOXZSME-UHFFFAOYSA-M Synonym: acefylline,theophylline-7-acetic acid,acephylline,theophyllineacetic acid,carboxymethyltheophylline,7-carboxymethyl theophylline,7-theophyllinylacetic acid,theophyllin-7-ylacetic acid,7-theophyllinessigsaeure,7-theophyllineacetic acid PubChem CID: 69550 IUPAC Name: sodium 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate SMILES: [Na+].CN1C2=C(N(CC([O-])=O)C=N2)C(=O)N(C)C1=O

PubChem CID 69550
CAS 652-37-9
Molecular Weight (g/mol) 260.19
MDL Number MFCD00022832
SMILES [Na+].CN1C2=C(N(CC([O-])=O)C=N2)C(=O)N(C)C1=O
Synonym acefylline,theophylline-7-acetic acid,acephylline,theophyllineacetic acid,carboxymethyltheophylline,7-carboxymethyl theophylline,7-theophyllinylacetic acid,theophyllin-7-ylacetic acid,7-theophyllinessigsaeure,7-theophyllineacetic acid
IUPAC Name sodium 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate
InChI Key MSFVZSOKOXZSME-UHFFFAOYSA-M
Molecular Formula C9H9N4NaO4