Pyrazoles

Organic heterocyclic compounds that consists of a 5-membered ring of three carbon atoms and two adjacent nitrogen atoms with the formula: C₃H₃N₂H.

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Allopurinol, USP, 98-102%, Spectrum™ Chemical

CAS: 315-30-0 Molecular Formula: C5H4N4O Molecular Weight (g/mol): 136.11 MDL Number: MFCD00599413 InChI Key: OFCNXPDARWKPPY-UHFFFAOYSA-N IUPAC Name: 1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one SMILES: O=C1N=CN=C2NNC=C12

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CAS	315-30-0
Molecular Weight (g/mol)	136.11
MDL Number	MFCD00599413
SMILES	O=C1N=CN=C2NNC=C12
IUPAC Name	1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one
InChI Key	OFCNXPDARWKPPY-UHFFFAOYSA-N
Molecular Formula	C5H4N4O

(1,3-Dimethyl-1H-pyrazol-5-yl)methanol, 97%, Thermo Scientific™

CAS: 57012-20-1 Molecular Formula: C6H10N2O Molecular Weight (g/mol): 126.159 MDL Number: MFCD02682037 InChI Key: GUJDKMVLHCJODO-UHFFFAOYSA-N Synonym: 1,3-dimethyl-1h-pyrazol-5-yl methanol,1,3-dimethyl-1h-pyrazole-5-yl methanol,1h-pyrazole-5-methanol, 1,3-dimethyl,2,5-dimethylpyrazol-3-yl methanol,2,5-dimethyl-2h-pyrazol-3-yl-methanol,1h-pyrazole-5-methanol,1,3-dimethyl,1,3-dimethylpyrazol-5-yl methan-1-ol,pubchem23626,2,5-dimethyl-3-pyrazolyl methanol,2,5-dimethyl-2h-pyrazole-3-yl methanol PubChem CID: 2776363 IUPAC Name: (2,5-dimethylpyrazol-3-yl)methanol SMILES: CC1=NN(C(=C1)CO)C

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PubChem CID	2776363
CAS	57012-20-1
Molecular Weight (g/mol)	126.159
MDL Number	MFCD02682037
SMILES	CC1=NN(C(=C1)CO)C
Synonym	1,3-dimethyl-1h-pyrazol-5-yl methanol,1,3-dimethyl-1h-pyrazole-5-yl methanol,1h-pyrazole-5-methanol, 1,3-dimethyl,2,5-dimethylpyrazol-3-yl methanol,2,5-dimethyl-2h-pyrazol-3-yl-methanol,1h-pyrazole-5-methanol,1,3-dimethyl,1,3-dimethylpyrazol-5-yl methan-1-ol,pubchem23626,2,5-dimethyl-3-pyrazolyl methanol,2,5-dimethyl-2h-pyrazole-3-yl methanol
IUPAC Name	(2,5-dimethylpyrazol-3-yl)methanol
InChI Key	GUJDKMVLHCJODO-UHFFFAOYSA-N
Molecular Formula	C6H10N2O

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Thermo Scientific Chemicals Allopurinol, 98%

CAS: 315-30-0 Molecular Formula: C5H4N4O Molecular Weight (g/mol): 136.11 MDL Number: MFCD00599413 InChI Key: OFCNXPDARWKPPY-UHFFFAOYSA-N Synonym: allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin PubChem CID: 2094 ChEBI: CHEBI:40279 IUPAC Name: 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one SMILES: O=C1N=CN=C2NNC=C12

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PubChem CID	2094
CAS	315-30-0
Molecular Weight (g/mol)	136.11
ChEBI	CHEBI:40279
MDL Number	MFCD00599413
SMILES	O=C1N=CN=C2NNC=C12
Synonym	allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin
IUPAC Name	1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
InChI Key	OFCNXPDARWKPPY-UHFFFAOYSA-N
Molecular Formula	C5H4N4O

Allopurinol, 99.78%, MP Biomedicals™

CAS: 315-30-0 Molecular Formula: C5H4N4O Molecular Weight (g/mol): 136.11 MDL Number: MFCD00599413 InChI Key: OFCNXPDARWKPPY-UHFFFAOYSA-N Synonym: allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin PubChem CID: 2094 ChEBI: CHEBI:40279 IUPAC Name: 1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one SMILES: O=C1N=CN=C2NNC=C12

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Specifications

PubChem CID	2094
CAS	315-30-0
Molecular Weight (g/mol)	136.11
ChEBI	CHEBI:40279
MDL Number	MFCD00599413
SMILES	O=C1N=CN=C2NNC=C12
Synonym	allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin
IUPAC Name	1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one
InChI Key	OFCNXPDARWKPPY-UHFFFAOYSA-N
Molecular Formula	C5H4N4O

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3,5-Dimethylpyrazole, 99%

CAS: 67-51-6 Molecular Formula: C5H8N2 Molecular Weight (g/mol): 96.13 MDL Number: MFCD00005243 InChI Key: SDXAWLJRERMRKF-UHFFFAOYSA-N Synonym: 3,5-dimethylpyrazole,1h-pyrazole, 3,5-dimethyl,3,5 dmp,pyrazole, 3,5-dimethyl,3,5-dwumetylopirazolu,unii-h21n865k9j,3,5-dwumetylopirazolu polish,3,5-dimethyl pyrazole,pyrazole,5-dimethyl,pubchem13256 PubChem CID: 6210 IUPAC Name: 3,5-dimethyl-1H-pyrazole SMILES: CC1=CC(C)=NN1

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PubChem CID	6210
CAS	67-51-6
Molecular Weight (g/mol)	96.13
MDL Number	MFCD00005243
SMILES	CC1=CC(C)=NN1
Synonym	3,5-dimethylpyrazole,1h-pyrazole, 3,5-dimethyl,3,5 dmp,pyrazole, 3,5-dimethyl,3,5-dwumetylopirazolu,unii-h21n865k9j,3,5-dwumetylopirazolu polish,3,5-dimethyl pyrazole,pyrazole,5-dimethyl,pubchem13256
IUPAC Name	3,5-dimethyl-1H-pyrazole
InChI Key	SDXAWLJRERMRKF-UHFFFAOYSA-N
Molecular Formula	C5H8N2

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7-Nitro-1H-indazole, 98%

CAS: 2942-42-9 Molecular Formula: C7H5N3O2 Molecular Weight (g/mol): 163.136 MDL Number: MFCD00022789 InChI Key: PQCAUHUKTBHUSA-UHFFFAOYSA-N Synonym: 7-nitroindazole,1h-indazole, 7-nitro,7-ni,7-nitro-indazole,unii-ux0n37cmvh,ccris 3309,2h-indazole,7-nitro,ux0n37cmvh,7ni PubChem CID: 1893 IUPAC Name: 7-nitro-1H-indazole SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])NN=C2

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PubChem CID	1893
CAS	2942-42-9
Molecular Weight (g/mol)	163.136
MDL Number	MFCD00022789
SMILES	C1=CC2=C(C(=C1)[N+](=O)[O-])NN=C2
Synonym	7-nitroindazole,1h-indazole, 7-nitro,7-ni,7-nitro-indazole,unii-ux0n37cmvh,ccris 3309,2h-indazole,7-nitro,ux0n37cmvh,7ni
IUPAC Name	7-nitro-1H-indazole
InChI Key	PQCAUHUKTBHUSA-UHFFFAOYSA-N
Molecular Formula	C7H5N3O2

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2-(1H-Pyrazol-3-yl)pyridine, 98%

CAS: 75415-03-1 Molecular Formula: C8H7N3 Molecular Weight (g/mol): 145.17 MDL Number: MFCD00115151 InChI Key: HKEWOTUTAYJWQJ-UHFFFAOYSA-N Synonym: 2-1h-pyrazol-3-yl pyridine,2-1h-pyrazol-5-yl pyridine,2-pyrazol-3-yl-pyridine,2-1h-pyrazol-3-yl-pyridine,2-3-pyrazolyl pyridine,pyridine, 2-1h-pyrazol-3-yl,3-2-pyridyl pyrazole,2-2h-pyrazol-3-yl pyridine,2-3e-pyrazol-3-ylidene-1h-pyridine,pyrazolylpyridine PubChem CID: 2797657 IUPAC Name: 2-(1H-pyrazol-5-yl)pyridine SMILES: N1N=CC=C1C1=CC=CC=N1

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PubChem CID	2797657
CAS	75415-03-1
Molecular Weight (g/mol)	145.17
MDL Number	MFCD00115151
SMILES	N1N=CC=C1C1=CC=CC=N1
Synonym	2-1h-pyrazol-3-yl pyridine,2-1h-pyrazol-5-yl pyridine,2-pyrazol-3-yl-pyridine,2-1h-pyrazol-3-yl-pyridine,2-3-pyrazolyl pyridine,pyridine, 2-1h-pyrazol-3-yl,3-2-pyridyl pyrazole,2-2h-pyrazol-3-yl pyridine,2-3e-pyrazol-3-ylidene-1h-pyridine,pyrazolylpyridine
IUPAC Name	2-(1H-pyrazol-5-yl)pyridine
InChI Key	HKEWOTUTAYJWQJ-UHFFFAOYSA-N
Molecular Formula	C8H7N3

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4-Bromo-1H-indazole, 97+%

CAS: 186407-74-9 Molecular Formula: C7H5BrN2 Molecular Weight (g/mol): 197.035 MDL Number: MFCD05664001 InChI Key: KJIODOACRIRBPB-UHFFFAOYSA-N Synonym: 4-bromoindazole,1h-indazole, 4-bromo,4-bromo 1h indazole,4-bromo-indazole,bromo-1h-indazole,pubchem7834,4-bromo-2h-indazole,acmc-1bzds,4-bromanyl-1h-indazole PubChem CID: 22352548 IUPAC Name: 4-bromo-1H-indazole SMILES: C1=CC2=C(C=NN2)C(=C1)Br

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PubChem CID	22352548
CAS	186407-74-9
Molecular Weight (g/mol)	197.035
MDL Number	MFCD05664001
SMILES	C1=CC2=C(C=NN2)C(=C1)Br
Synonym	4-bromoindazole,1h-indazole, 4-bromo,4-bromo 1h indazole,4-bromo-indazole,bromo-1h-indazole,pubchem7834,4-bromo-2h-indazole,acmc-1bzds,4-bromanyl-1h-indazole
IUPAC Name	4-bromo-1H-indazole
InChI Key	KJIODOACRIRBPB-UHFFFAOYSA-N
Molecular Formula	C7H5BrN2

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3-Trifluoromethyl-1H-pyrazole, 97%

CAS: 20154-03-4 Molecular Formula: C4H3F3N2 Molecular Weight (g/mol): 136.077 MDL Number: MFCD00115018 InChI Key: PYXNITNKYBLBMW-UHFFFAOYSA-N Synonym: 3-trifluoromethyl pyrazole,3-trifluoromethyl-1h-pyrazole,5-trifluoromethyl-1h-pyrazole,3-trifluoromethylpyrazole,trifluoromethylpyrazole,1h-pyrazole, 3-trifluoromethyl,3-trifluoromethyl-2h-pyrazole,pubchem10164,pubchem10423 PubChem CID: 1807034 IUPAC Name: 5-(trifluoromethyl)-1H-pyrazole SMILES: C1=C(NN=C1)C(F)(F)F

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PubChem CID	1807034
CAS	20154-03-4
Molecular Weight (g/mol)	136.077
MDL Number	MFCD00115018
SMILES	C1=C(NN=C1)C(F)(F)F
Synonym	3-trifluoromethyl pyrazole,3-trifluoromethyl-1h-pyrazole,5-trifluoromethyl-1h-pyrazole,3-trifluoromethylpyrazole,trifluoromethylpyrazole,1h-pyrazole, 3-trifluoromethyl,3-trifluoromethyl-2h-pyrazole,pubchem10164,pubchem10423
IUPAC Name	5-(trifluoromethyl)-1H-pyrazole
InChI Key	PYXNITNKYBLBMW-UHFFFAOYSA-N
Molecular Formula	C4H3F3N2

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4-Hydroxy-1H-pyrazolo[3,4-d]pyrimidine, 98%

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PubChem CID	2094
CAS	315-30-0
Molecular Weight (g/mol)	136.11
ChEBI	CHEBI:40279
MDL Number	MFCD00599413
SMILES	O=C1N=CN=C2NNC=C12
Synonym	allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin
IUPAC Name	1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
InChI Key	OFCNXPDARWKPPY-UHFFFAOYSA-N
Molecular Formula	C5H4N4O

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1H-Indazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 677306-38-6 Molecular Formula: C₈H₆N₂O₂ Molecular Weight (g/mol): 162.15 MDL Number: MFCD03840644 InChI Key: KGKZHHIUOZGUNP-UHFFFAOYSA-N Synonym: indazole-4-carboxylic acid,1h-indazole-4-carboxylicacid,4-indazolecarboxylic acid,4-carboxy-1h-indazole,2h-indazole-4-carboxylic acid,pubchem19651,acmc-1b3os,ksc352q1d,1h-indazole-4-carboxylic acid,4-1h indazole carboxylic acid PubChem CID: 21982323 IUPAC Name: 1H-indazole-4-carboxylic acid SMILES: C1=CC(=C2C=NNC2=C1)C(=O)O

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PubChem CID	21982323
CAS	677306-38-6
Molecular Weight (g/mol)	162.15
MDL Number	MFCD03840644
SMILES	C1=CC(=C2C=NNC2=C1)C(=O)O
Synonym	indazole-4-carboxylic acid,1h-indazole-4-carboxylicacid,4-indazolecarboxylic acid,4-carboxy-1h-indazole,2h-indazole-4-carboxylic acid,pubchem19651,acmc-1b3os,ksc352q1d,1h-indazole-4-carboxylic acid,4-1h indazole carboxylic acid
IUPAC Name	1H-indazole-4-carboxylic acid
InChI Key	KGKZHHIUOZGUNP-UHFFFAOYSA-N
Molecular Formula	C₈H₆N₂O₂

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4-Amino-1,3,5-trimethyl-1H-pyrazole, 97%

CAS: 28466-21-9 Molecular Formula: C6H11N3 Molecular Weight (g/mol): 125.175 MDL Number: MFCD00052883 InChI Key: SSDGMKHZMNTWLS-UHFFFAOYSA-N Synonym: 1,3,5-trimethyl-1h-pyrazol-4-amine,4-amino-1,3,5-trimethylpyrazole,trimethyl-1h-pyrazol-4-amine,pyrazole, 4-amino-1,3,5-trimethyl,4-amino-1,3,5-trimethyl-1h-pyrazole,trimethylpyrazol-4-amine,1,3,5-trimethyl-1h-pyrazol-4-ylamine,1h-pyrazol-4-amine, 1,3,5-trimethyl,1,3,5-trimethyl-1h-pyrazole-4-amine,1,3,5-trimethylpyrazole-4-ylamine PubChem CID: 161603 IUPAC Name: 1,3,5-trimethylpyrazol-4-amine SMILES: CC1=C(C(=NN1C)C)N

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PubChem CID	161603
CAS	28466-21-9
Molecular Weight (g/mol)	125.175
MDL Number	MFCD00052883
SMILES	CC1=C(C(=NN1C)C)N
Synonym	1,3,5-trimethyl-1h-pyrazol-4-amine,4-amino-1,3,5-trimethylpyrazole,trimethyl-1h-pyrazol-4-amine,pyrazole, 4-amino-1,3,5-trimethyl,4-amino-1,3,5-trimethyl-1h-pyrazole,trimethylpyrazol-4-amine,1,3,5-trimethyl-1h-pyrazol-4-ylamine,1h-pyrazol-4-amine, 1,3,5-trimethyl,1,3,5-trimethyl-1h-pyrazole-4-amine,1,3,5-trimethylpyrazole-4-ylamine
IUPAC Name	1,3,5-trimethylpyrazol-4-amine
InChI Key	SSDGMKHZMNTWLS-UHFFFAOYSA-N
Molecular Formula	C6H11N3

(1,5-Dimethyl-1H-pyrazol-3-yl)methanol, 97%, Thermo Scientific™

CAS: 153912-60-8 Molecular Formula: C6H10N2O Molecular Weight (g/mol): 126.159 MDL Number: MFCD03659702 InChI Key: XJBMHIHXRARJJS-UHFFFAOYSA-N Synonym: 1,5-dimethyl-1h-pyrazol-3-yl methanol,1,5-dimethyl-1h-pyrazol-3-yl-methanol,1,5-dimethylpyrazol-3-yl methanol,3-hydroxymethyl-1,5-dimethyl-1h-pyrazole,1h-pyrazole-3-methanol,1,5-dimethyl,1,5-dimethyl-3-hydroxymethyl-1h-pyrazole,1,5-dimethyl-3-hydroxymethyl pyrazole,akos pao-0060,acmc-1cisl,1,5-dimethylpyrazole-3-methanol PubChem CID: 2776366 IUPAC Name: (1,5-dimethylpyrazol-3-yl)methanol SMILES: CC1=CC(=NN1C)CO

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PubChem CID	2776366
CAS	153912-60-8
Molecular Weight (g/mol)	126.159
MDL Number	MFCD03659702
SMILES	CC1=CC(=NN1C)CO
Synonym	1,5-dimethyl-1h-pyrazol-3-yl methanol,1,5-dimethyl-1h-pyrazol-3-yl-methanol,1,5-dimethylpyrazol-3-yl methanol,3-hydroxymethyl-1,5-dimethyl-1h-pyrazole,1h-pyrazole-3-methanol,1,5-dimethyl,1,5-dimethyl-3-hydroxymethyl-1h-pyrazole,1,5-dimethyl-3-hydroxymethyl pyrazole,akos pao-0060,acmc-1cisl,1,5-dimethylpyrazole-3-methanol
IUPAC Name	(1,5-dimethylpyrazol-3-yl)methanol
InChI Key	XJBMHIHXRARJJS-UHFFFAOYSA-N
Molecular Formula	C6H10N2O

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3,4-Dimethyl-1H-pyrazole, 97%

CAS: 2820-37-3 Molecular Formula: C5H8N2 Molecular Weight (g/mol): 96.133 MDL Number: MFCD00462154 InChI Key: VQTVFIMEENGCJA-UHFFFAOYSA-N Synonym: 3,4-dimethyl-1h-pyrazole,3 5 ,4-dimethylpyrazole,3,4-dimethylpyrazole,3,4-dimethyl pyrazole,1h-pyrazole, 3,4-dimethyl,unii-7lf1k5quj0,7lf1k5quj0,1h-pyrazole,4,5-dimethyl,1h-pyrazole, 4,5-dimethyl,pyrazole, 3,4-dimethyl PubChem CID: 137735 IUPAC Name: 4,5-dimethyl-1H-pyrazole SMILES: CC1=C(NN=C1)C

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Specifications

PubChem CID	137735
CAS	2820-37-3
Molecular Weight (g/mol)	96.133
MDL Number	MFCD00462154
SMILES	CC1=C(NN=C1)C
Synonym	3,4-dimethyl-1h-pyrazole,3 5 ,4-dimethylpyrazole,3,4-dimethylpyrazole,3,4-dimethyl pyrazole,1h-pyrazole, 3,4-dimethyl,unii-7lf1k5quj0,7lf1k5quj0,1h-pyrazole,4,5-dimethyl,1h-pyrazole, 4,5-dimethyl,pyrazole, 3,4-dimethyl
IUPAC Name	4,5-dimethyl-1H-pyrazole
InChI Key	VQTVFIMEENGCJA-UHFFFAOYSA-N
Molecular Formula	C5H8N2

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1H-Indazole, 99%

CAS: 271-44-3 Molecular Formula: C7H6N2 Molecular Weight (g/mol): 118.139 MDL Number: MFCD00005691 InChI Key: BAXOFTOLAUCFNW-UHFFFAOYSA-N Synonym: indazole,1h-benzopyrazole,2-azaindole,isoindazole,2h-indazole,1,2-diazaindene,1,2-benzodiazole,1h-indazol,benzopyrazole,1,2-benzopyrazole PubChem CID: 9221 ChEBI: CHEBI:36669 IUPAC Name: 1H-indazole SMILES: C1=CC=C2C(=C1)C=NN2

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Specifications

PubChem CID	9221
CAS	271-44-3
Molecular Weight (g/mol)	118.139
ChEBI	CHEBI:36669
MDL Number	MFCD00005691
SMILES	C1=CC=C2C(=C1)C=NN2
Synonym	indazole,1h-benzopyrazole,2-azaindole,isoindazole,2h-indazole,1,2-diazaindene,1,2-benzodiazole,1h-indazol,benzopyrazole,1,2-benzopyrazole
IUPAC Name	1H-indazole
InChI Key	BAXOFTOLAUCFNW-UHFFFAOYSA-N
Molecular Formula	C7H6N2

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Allopurinol, USP, 98-102%, Spectrum™ Chemical