CS-0227316
Ethyl 5-cyano-4-methyl-1H-pyrazole-3-carboxylate
Manufacturer: ChemScene
CAS Number: 829-06-1
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₈H₉N₃O₂
Molecular Weight
179.18
Synonyms
1H-Pyrazole-3-carboxylic acid, 5-cyano-4-methyl-, ethyl ester
SMILES
O=C(C1=NNC(C#N)=C1C)OCC
Tpsa
78.77
Logp
0.7665
H Acceptors
4
H Donors
1
Rotatable Bonds
2
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₉N₃O₂
Molecular Weight: 179.18
Synonyms: 1H-Pyrazole-3-carboxylic acid, 5-cyano-4-methyl-, ethyl ester
SMILES: O=C(C1=NNC(C#N)=C1C)OCC
Tpsa: 78.77
Logp: 0.7665
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₉N₃O₂
Molecular Weight:
179.18
Synonyms:
1H-Pyrazole-3-carboxylic acid, 5-cyano-4-methyl-, ethyl ester
SMILES:
O=C(C1=NNC(C#N)=C1C)OCC
Tpsa:
78.77
Logp:
0.7665
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₉BrO₃
Molecular Weight: 245.07
Synonyms: None
SMILES: O=C(O)C1=C(C)C=CC(Br)=C1OC
Tpsa: 46.53
Logp: 2.46432
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₉BrO₃
Molecular Weight:
245.07
Synonyms:
None
SMILES:
O=C(O)C1=C(C)C=CC(Br)=C1OC
Tpsa:
46.53
Logp:
2.46432
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₉ClN₂
Molecular Weight: 192.64
Synonyms: 3-Chloro-1-methyl-6,7-dihydro-5H-[2]pyrindine-4-carbonitrile
SMILES: N#CC1=C(Cl)N=C(C)C2=C1CCC2
Tpsa: 36.68
Logp: 2.4038
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₉ClN₂
Molecular Weight:
192.64
Synonyms:
3-Chloro-1-methyl-6,7-dihydro-5H-[2]pyrindine-4-carbonitrile
SMILES:
N#CC1=C(Cl)N=C(C)C2=C1CCC2
Tpsa:
36.68
Logp:
2.4038
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
0
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₆BrNO₃
Molecular Weight: 244.04
Synonyms: None
SMILES: O=C(C1=NC=C(Br)C=C1C=O)OC
Tpsa: 56.26
Logp: 1.4432
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₆BrNO₃
Molecular Weight:
244.04
Synonyms:
None
SMILES:
O=C(C1=NC=C(Br)C=C1C=O)OC
Tpsa:
56.26
Logp:
1.4432
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2