CS-0614383
Ethyl 5-cyano-1-methyl-1H-pyrazole-3-carboxylate
Manufacturer: ChemScene
CAS Number: 1269294-12-3
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Purity
98%
MDL No
None
Storage
4°C
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₈H₉N₃O₂
Molecular Weight
179.18
Synonyms
None
SMILES
O=C(C1=NN(C)C(C#N)=C1)OCC
Tpsa
67.91
Logp
0.46848
H Acceptors
5
H Donors
0
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: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₉N₃O₂
Molecular Weight: 179.18
Synonyms: None
SMILES: O=C(C1=NN(C)C(C#N)=C1)OCC
Tpsa: 67.91
Logp: 0.46848
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₉N₃O₂
Molecular Weight:
179.18
Synonyms:
None
SMILES:
O=C(C1=NN(C)C(C#N)=C1)OCC
Tpsa:
67.91
Logp:
0.46848
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₇NO₅
Molecular Weight: 185.13
Synonyms: None
SMILES: O=C(C1=NOC(C(O)=O)=C1)OCC
Tpsa: 89.63
Logp: 0.5495
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₇NO₅
Molecular Weight:
185.13
Synonyms:
None
SMILES:
O=C(C1=NOC(C(O)=O)=C1)OCC
Tpsa:
89.63
Logp:
0.5495
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₇BrClFN₂
Molecular Weight: 241.49
Synonyms: None
SMILES: FC1=CC=C(NN)C=C1Br.Cl
Tpsa: 38.05
Logp: 2.2956
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₇BrClFN₂
Molecular Weight:
241.49
Synonyms:
None
SMILES:
FC1=CC=C(NN)C=C1Br.Cl
Tpsa:
38.05
Logp:
2.2956
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄H₈BrN₃
Molecular Weight: 178.03
Synonyms: None
SMILES: BrCCCCN=[N+]=[N-]
Tpsa: 48.76
Logp: 2.4718
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄H₈BrN₃
Molecular Weight:
178.03
Synonyms:
None
SMILES:
BrCCCCN=[N+]=[N-]
Tpsa:
48.76
Logp:
2.4718
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
4