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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 (143)
Organoheterocyclic compounds (141)
Benzenoids (47)
Organonitrogen Compounds (13)
Organic acids and derivatives (9)
Organooxygen compounds (7)
Phenylpropanoids and polyketides (6)
Organosulfur Compounds (4)
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Organic chloride salts (1)
Hydrochlorides (1)
Organic oxides (1)
Organophosphorus compounds (1)
Hydrocarbons (1)

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1

4-Fluorophenyl isocyanate, 98+%

CAS: 1195-45-5 Molecular Formula: C7H4FNO Molecular Weight (g/mol): 137.113 MDL Number: MFCD00002023 InChI Key: DSVGFKBFFICWLZ-UHFFFAOYSA-N PubChem CID: 70955 IUPAC Name: 1-fluoro-4-isocyanatobenzene SMILES: C1=CC(=CC=C1N=C=O)F

PubChem CID 70955
CAS 1195-45-5
Molecular Weight (g/mol) 137.113
MDL Number MFCD00002023
SMILES C1=CC(=CC=C1N=C=O)F
IUPAC Name 1-fluoro-4-isocyanatobenzene
InChI Key DSVGFKBFFICWLZ-UHFFFAOYSA-N
Molecular Formula C7H4FNO
2

Atropine 99.0+%, TCI America™
SDP

CAS: 51-55-8 Molecular Formula: C17H23NO3 Molecular Weight (g/mol): 289.375 MDL Number: MFCD00022622 InChI Key: RKUNBYITZUJHSG-PJPHBNEVSA-N Synonym: r-atropine,+-atropine,+-hyoscyamine,hyoscyamine,tropan-3alpha-yl 2r-3-hydroxy-2-phenylpropanoate,3-endo-8-methyl-8-azabicyclo 3.2.1 oct-3-yl 2r-3-hydroxy-2-phenylpropanoate,atropine sulfate,unii-v3203si72m,1s,5r-8-methyl-8-azabicyclo 3.2.1 octan-3-yl 2r-3-hydroxy-2-phenylpropanoate,prestwick0_000233 PubChem CID: 174174 IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate SMILES: CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3

PubChem CID 174174
CAS 51-55-8
Molecular Weight (g/mol) 289.375
MDL Number MFCD00022622
SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3
Synonym r-atropine,+-atropine,+-hyoscyamine,hyoscyamine,tropan-3alpha-yl 2r-3-hydroxy-2-phenylpropanoate,3-endo-8-methyl-8-azabicyclo 3.2.1 oct-3-yl 2r-3-hydroxy-2-phenylpropanoate,atropine sulfate,unii-v3203si72m,1s,5r-8-methyl-8-azabicyclo 3.2.1 octan-3-yl 2r-3-hydroxy-2-phenylpropanoate,prestwick0_000233
IUPAC Name [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate
InChI Key RKUNBYITZUJHSG-PJPHBNEVSA-N
Molecular Formula C17H23NO3
3

2-Phenylthiophene 95.0+%, TCI America™
SDP

CAS: 825-55-8 Molecular Formula: C10H8S Molecular Weight (g/mol): 160.234 MDL Number: MFCD00130080 InChI Key: PJRGDKFLFAYRBV-UHFFFAOYSA-N Synonym: thiophene, 2-phenyl,2-phenyl-thiophene,phenylthiophene,thiophene, phenyl,2-thienylbenzene,2-phenyithiophene,2-phenylthiofuran,2-phenylthiophene,acmc-209ppe PubChem CID: 69999 IUPAC Name: 2-phenylthiophene SMILES: C1=CC=C(C=C1)C2=CC=CS2

PubChem CID 69999
CAS 825-55-8
Molecular Weight (g/mol) 160.234
MDL Number MFCD00130080
SMILES C1=CC=C(C=C1)C2=CC=CS2
Synonym thiophene, 2-phenyl,2-phenyl-thiophene,phenylthiophene,thiophene, phenyl,2-thienylbenzene,2-phenyithiophene,2-phenylthiofuran,2-phenylthiophene,acmc-209ppe
IUPAC Name 2-phenylthiophene
InChI Key PJRGDKFLFAYRBV-UHFFFAOYSA-N
Molecular Formula C10H8S
4

4-Acetyldiphenyl Sulfide 98.0+%, TCI America™
SDP

CAS: 10169-55-8 Molecular Formula: C14H12OS Molecular Weight (g/mol): 228.31 MDL Number: MFCD00026227 InChI Key: XUDYHODVSUXRPW-UHFFFAOYSA-N Synonym: 4-acetyldiphenyl sulfide,1-4-phenylthio phenyl ethanone,4-acetyl diphenyl sulfide,4'-phenylthio acetophenone,1-4-phenylsulfanyl phenyl ethanone,1-4-phenylsulfanylphenyl ethanone,1-4-phenylthio phenyl ethan-1-one,ethanone, 1-4-phenylthio phenyl,1-acetyl-4-phenylthiobenzene PubChem CID: 66287 IUPAC Name: 1-[4-(phenylsulfanyl)phenyl]ethan-1-one SMILES: CC(=O)C1=CC=C(SC2=CC=CC=C2)C=C1

PubChem CID 66287
CAS 10169-55-8
Molecular Weight (g/mol) 228.31
MDL Number MFCD00026227
SMILES CC(=O)C1=CC=C(SC2=CC=CC=C2)C=C1
Synonym 4-acetyldiphenyl sulfide,1-4-phenylthio phenyl ethanone,4-acetyl diphenyl sulfide,4'-phenylthio acetophenone,1-4-phenylsulfanyl phenyl ethanone,1-4-phenylsulfanylphenyl ethanone,1-4-phenylthio phenyl ethan-1-one,ethanone, 1-4-phenylthio phenyl,1-acetyl-4-phenylthiobenzene
IUPAC Name 1-[4-(phenylsulfanyl)phenyl]ethan-1-one
InChI Key XUDYHODVSUXRPW-UHFFFAOYSA-N
Molecular Formula C14H12OS
5

Diethylene Glycol Dibenzoate 97.0+%, TCI America™
SDP

CAS: 120-55-8 Molecular Formula: C18H18O5 Molecular Weight (g/mol): 314.34 MDL Number: MFCD00020679 InChI Key: NXQMCAOPTPLPRL-UHFFFAOYSA-N PubChem CID: 8437 IUPAC Name: 2-[2-(benzoyloxy)ethoxy]ethyl benzoate SMILES: O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 8437
CAS 120-55-8
Molecular Weight (g/mol) 314.34
MDL Number MFCD00020679
SMILES O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1
IUPAC Name 2-[2-(benzoyloxy)ethoxy]ethyl benzoate
InChI Key NXQMCAOPTPLPRL-UHFFFAOYSA-N
Molecular Formula C18H18O5
6

cis-2,6-Dimethylmorpholine 97.0+%, TCI America™
SDP

CAS: 6485-55-8 Molecular Formula: C6H13NO Molecular Weight (g/mol): 115.176 MDL Number: MFCD00078428 InChI Key: HNVIQLPOGUDBSU-OLQVQODUSA-N Synonym: cis-2,6-dimethylmorpholine,2r,6s-2,6-dimethylmorpholine,2s,6r-2,6-dimethylmorpholine,unii-vwd860p007,2,6-dimethylmorpholine, cis,morpholine, 2,6-dimethyl-, cis,2,6-dimethyl-morpholine,morpholine, 2,6-dimethyl-, 2r,6s-rel,cdmm,pubchem16624 PubChem CID: 641500 IUPAC Name: (2S,6R)-2,6-dimethylmorpholine SMILES: CC1CNCC(O1)C

PubChem CID 641500
CAS 6485-55-8
Molecular Weight (g/mol) 115.176
MDL Number MFCD00078428
SMILES CC1CNCC(O1)C
Synonym cis-2,6-dimethylmorpholine,2r,6s-2,6-dimethylmorpholine,2s,6r-2,6-dimethylmorpholine,unii-vwd860p007,2,6-dimethylmorpholine, cis,morpholine, 2,6-dimethyl-, cis,2,6-dimethyl-morpholine,morpholine, 2,6-dimethyl-, 2r,6s-rel,cdmm,pubchem16624
IUPAC Name (2S,6R)-2,6-dimethylmorpholine
InChI Key HNVIQLPOGUDBSU-OLQVQODUSA-N
Molecular Formula C6H13NO
7

Isopropyl Formate 97.0+%, TCI America™
SDP

CAS: 625-55-8 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.11 MDL Number: MFCD00014127 InChI Key: RMOUBSOVHSONPZ-UHFFFAOYSA-N Synonym: isopropyl formate,formic acid, 1-methylethyl ester,formic acid isopropyl ester,formic acid, isopropyl ester,isopropyl methanoate,1-methylethyl formate,methylethyl formate,unii-h1l164w42g,fema no. 2944,hcooch ch3 2 PubChem CID: 12257 IUPAC Name: propan-2-yl formate SMILES: CC(C)OC=O

PubChem CID 12257
CAS 625-55-8
Molecular Weight (g/mol) 88.11
MDL Number MFCD00014127
SMILES CC(C)OC=O
Synonym isopropyl formate,formic acid, 1-methylethyl ester,formic acid isopropyl ester,formic acid, isopropyl ester,isopropyl methanoate,1-methylethyl formate,methylethyl formate,unii-h1l164w42g,fema no. 2944,hcooch ch3 2
IUPAC Name propan-2-yl formate
InChI Key RMOUBSOVHSONPZ-UHFFFAOYSA-N
Molecular Formula C4H8O2
8

Phenyl Stearate 98.0+%, TCI America™
SDP

CAS: 637-55-8 Molecular Formula: C24H40O2 Molecular Weight (g/mol): 360.58 MDL Number: MFCD00026663 InChI Key: NUMNZKICGJJSHN-UHFFFAOYSA-N Synonym: phenyl stearate,octadecanoic acid, phenyl ester,stearic acid phenyl ester,stearic acid, phenyl ester,phenylstearate,acmc-209nhu,octadecanoicacid,phenylester,stearic acid, phenyl ester 8ci PubChem CID: 69477 IUPAC Name: phenyl octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)OC1=CC=CC=C1

PubChem CID 69477
CAS 637-55-8
Molecular Weight (g/mol) 360.58
MDL Number MFCD00026663
SMILES CCCCCCCCCCCCCCCCCC(=O)OC1=CC=CC=C1
Synonym phenyl stearate,octadecanoic acid, phenyl ester,stearic acid phenyl ester,stearic acid, phenyl ester,phenylstearate,acmc-209nhu,octadecanoicacid,phenylester,stearic acid, phenyl ester 8ci
IUPAC Name phenyl octadecanoate
InChI Key NUMNZKICGJJSHN-UHFFFAOYSA-N
Molecular Formula C24H40O2
9

Benzoyl Isothiocyanate 97.0+%, TCI America™
SDP

CAS: 532-55-8 Molecular Formula: C8H5NOS Molecular Weight (g/mol): 163.194 MDL Number: MFCD00004815 InChI Key: CPEKAXYCDKETEN-UHFFFAOYSA-N Synonym: benzoylthiocarbimide,benzoylisothiocyanate,benzoylisothiocyante,isothiocyanic acid benzoyl ester,unii-u8j7q32b86,n-benzoyl isothiocyanate,benzoic acid, anhydride with hncs,benzoic acid, anhydride with isothiocyanic acid,oxophenylmethanisothiocyanate,1-benzoyl acetone PubChem CID: 68284 IUPAC Name: benzoyl isothiocyanate SMILES: C1=CC=C(C=C1)C(=O)N=C=S

PubChem CID 68284
CAS 532-55-8
Molecular Weight (g/mol) 163.194
MDL Number MFCD00004815
SMILES C1=CC=C(C=C1)C(=O)N=C=S
Synonym benzoylthiocarbimide,benzoylisothiocyanate,benzoylisothiocyante,isothiocyanic acid benzoyl ester,unii-u8j7q32b86,n-benzoyl isothiocyanate,benzoic acid, anhydride with hncs,benzoic acid, anhydride with isothiocyanic acid,oxophenylmethanisothiocyanate,1-benzoyl acetone
IUPAC Name benzoyl isothiocyanate
InChI Key CPEKAXYCDKETEN-UHFFFAOYSA-N
Molecular Formula C8H5NOS
10

Ethyl Bromofluoroacetate 98.0+%, TCI America™
SDP

CAS: 401-55-8 Molecular Formula: C4H6BrFO2 Molecular Weight (g/mol): 184.992 MDL Number: MFCD00042095 InChI Key: ULNDTPIRBQGESN-UHFFFAOYSA-N Synonym: ethyl bromofluoroacetate,bromofluoroacetic acid ethyl ester,ethyl-2-bromofluoroacetate,ethylbromofluoroacetate,acetic acid, bromofluoro-, ethyl ester,bromofluoroacetate,ethyl fluorobromoacetate,acmc-209jb9,ksc236i3t PubChem CID: 2733407 IUPAC Name: ethyl 2-bromo-2-fluoroacetate SMILES: CCOC(=O)C(F)Br

PubChem CID 2733407
CAS 401-55-8
Molecular Weight (g/mol) 184.992
MDL Number MFCD00042095
SMILES CCOC(=O)C(F)Br
Synonym ethyl bromofluoroacetate,bromofluoroacetic acid ethyl ester,ethyl-2-bromofluoroacetate,ethylbromofluoroacetate,acetic acid, bromofluoro-, ethyl ester,bromofluoroacetate,ethyl fluorobromoacetate,acmc-209jb9,ksc236i3t
IUPAC Name ethyl 2-bromo-2-fluoroacetate
InChI Key ULNDTPIRBQGESN-UHFFFAOYSA-N
Molecular Formula C4H6BrFO2
11

3-Bromophenyl Isocyanate 98.0+%, TCI America™
SDP

CAS: 23138-55-8 Molecular Formula: C7H4BrNO Molecular Weight (g/mol): 198.02 MDL Number: MFCD00002014 InChI Key: VQVBCZQTXSHJGF-UHFFFAOYSA-N Synonym: 3-bromophenyl isocyanate,3-bromophenylisocyanate,benzene, 1-bromo-3-isocyanato,isocyanic acid 3-bromophenyl ester,3-bromobenzenisocyanate,m-bromophenylisocyanate,3-bromophenyliso-cyanate,3-bromo phenyl isocyanate,3-bromo-phenyl isocyanate,acmc-209g1f PubChem CID: 141001 IUPAC Name: 1-bromo-3-isocyanatobenzene SMILES: BrC1=CC=CC(=C1)N=C=O

PubChem CID 141001
CAS 23138-55-8
Molecular Weight (g/mol) 198.02
MDL Number MFCD00002014
SMILES BrC1=CC=CC(=C1)N=C=O
Synonym 3-bromophenyl isocyanate,3-bromophenylisocyanate,benzene, 1-bromo-3-isocyanato,isocyanic acid 3-bromophenyl ester,3-bromobenzenisocyanate,m-bromophenylisocyanate,3-bromophenyliso-cyanate,3-bromo phenyl isocyanate,3-bromo-phenyl isocyanate,acmc-209g1f
IUPAC Name 1-bromo-3-isocyanatobenzene
InChI Key VQVBCZQTXSHJGF-UHFFFAOYSA-N
Molecular Formula C7H4BrNO
12

4-Bromo-1-naphthoic Acid 98.0+%, TCI America™
SDP

CAS: 16650-55-8 Molecular Formula: C11H7BrO2 Molecular Weight (g/mol): 251.079 MDL Number: MFCD00094221 InChI Key: FIJIPZQZVLCOMB-UHFFFAOYSA-N Synonym: 4-bromo-1-naphthoic acid,4-bromo-1-naphthalenecarboxylic acid,4-bromo-1-naphtalenecarboxylic acid,1-naphthalenecarboxylic acid, 4-bromo,4-bromo naphthoic acid,acmc-209dum,4-bromo-naphthalic acid,4-bromo-1-naphthoicacid,ksc175i3p,1-naphthalenecarboxylicacid,4-bromo PubChem CID: 282591 IUPAC Name: 4-bromonaphthalene-1-carboxylic acid SMILES: C1=CC=C2C(=C1)C(=CC=C2Br)C(=O)O

PubChem CID 282591
CAS 16650-55-8
Molecular Weight (g/mol) 251.079
MDL Number MFCD00094221
SMILES C1=CC=C2C(=C1)C(=CC=C2Br)C(=O)O
Synonym 4-bromo-1-naphthoic acid,4-bromo-1-naphthalenecarboxylic acid,4-bromo-1-naphtalenecarboxylic acid,1-naphthalenecarboxylic acid, 4-bromo,4-bromo naphthoic acid,acmc-209dum,4-bromo-naphthalic acid,4-bromo-1-naphthoicacid,ksc175i3p,1-naphthalenecarboxylicacid,4-bromo
IUPAC Name 4-bromonaphthalene-1-carboxylic acid
InChI Key FIJIPZQZVLCOMB-UHFFFAOYSA-N
Molecular Formula C11H7BrO2
13

Phenyl Salicylate 98.0+%, TCI America™
SDP

CAS: 118-55-8 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00002213 InChI Key: ZQBAKBUEJOMQEX-UHFFFAOYSA-N Synonym: phenyl salicylate,salol,phenol salicylate,salphenyl,musol,2-phenoxycarbonylphenol,benzoic acid, 2-hydroxy-, phenyl ester,salicylic acid, phenyl ester,2-hydroxybenzoic acid phenyl ester,phenyl-2-hydroxybenzoate PubChem CID: 8361 ChEBI: CHEBI:34918 IUPAC Name: phenyl 2-hydroxybenzoate SMILES: C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O

PubChem CID 8361
CAS 118-55-8
Molecular Weight (g/mol) 214.22
ChEBI CHEBI:34918
MDL Number MFCD00002213
SMILES C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
Synonym phenyl salicylate,salol,phenol salicylate,salphenyl,musol,2-phenoxycarbonylphenol,benzoic acid, 2-hydroxy-, phenyl ester,salicylic acid, phenyl ester,2-hydroxybenzoic acid phenyl ester,phenyl-2-hydroxybenzoate
IUPAC Name phenyl 2-hydroxybenzoate
InChI Key ZQBAKBUEJOMQEX-UHFFFAOYSA-N
Molecular Formula C13H10O3
14

p-(1-Adamantyl)toluene 95.0+%, TCI America™
SDP

CAS: 1459-55-8 Molecular Formula: C17H22 Molecular Weight (g/mol): 226.363 MDL Number: MFCD00181038 InChI Key: RFQXTZGKFOTWFL-UHFFFAOYSA-N Synonym: 1-(4-Methylphenyl)adamantane, 1-(p-Tolyl)adamantane PubChem CID: 300774 IUPAC Name: 1-(4-methylphenyl)adamantane SMILES: CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3

PubChem CID 300774
CAS 1459-55-8
Molecular Weight (g/mol) 226.363
MDL Number MFCD00181038
SMILES CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3
Synonym 1-(4-Methylphenyl)adamantane, 1-(p-Tolyl)adamantane
IUPAC Name 1-(4-methylphenyl)adamantane
InChI Key RFQXTZGKFOTWFL-UHFFFAOYSA-N
Molecular Formula C17H22
15

5-Ethynyl-1,2,3-trifluorobenzene 98.0+%, TCI America™
SDP

CAS: 158816-55-8 Molecular Formula: C8H3F3 Molecular Weight (g/mol): 156.11 MDL Number: MFCD08458177 InChI Key: BZXWRVPVZZZAKB-UHFFFAOYSA-N Synonym: 3,4,5-Trifluorophenylacetylene PubChem CID: 22709071 IUPAC Name: 5-ethynyl-1,2,3-trifluorobenzene SMILES: FC1=CC(=CC(F)=C1F)C#C

PubChem CID 22709071
CAS 158816-55-8
Molecular Weight (g/mol) 156.11
MDL Number MFCD08458177
SMILES FC1=CC(=CC(F)=C1F)C#C
Synonym 3,4,5-Trifluorophenylacetylene
IUPAC Name 5-ethynyl-1,2,3-trifluorobenzene
InChI Key BZXWRVPVZZZAKB-UHFFFAOYSA-N
Molecular Formula C8H3F3