CS-0335744
4-((4-Nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)benzoic acid
Manufacturer: ChemScene
CAS Number: 1006957-25-0
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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
C₁₂H₈F₃N₃O₄
Molecular Weight
315.20
Synonyms
4-(4-Nitro-3-trifluoromethyl-pyrazol-1-ylmethyl)-benzoic acid
SMILES
C1=C(C=CC(=C1)C(=O)O)CN2C=C(C(=N2)C(F)(F)F)[N+](=O)[O-]
Tpsa
98.26
Logp
2.5566
H Acceptors
5
H Donors
1
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1006957-25-0 | 4-{[4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid | A2B Chem | -- |
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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: C₁₂H₈F₃N₃O₄
Molecular Weight: 315.20
Synonyms: 4-(4-Nitro-3-trifluoromethyl-pyrazol-1-ylmethyl)-benzoic acid
SMILES: C1=C(C=CC(=C1)C(=O)O)CN2C=C(C(=N2)C(F)(F)F)[N+](=O)[O-]
Tpsa: 98.26
Logp: 2.5566
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₈F₃N₃O₄
Molecular Weight:
315.20
Synonyms:
4-(4-Nitro-3-trifluoromethyl-pyrazol-1-ylmethyl)-benzoic acid
SMILES:
C1=C(C=CC(=C1)C(=O)O)CN2C=C(C(=N2)C(F)(F)F)[N+](=O)[O-]
Tpsa:
98.26
Logp:
2.5566
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
4
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₉N₃O₄
Molecular Weight: 199.16
Synonyms: 5-Nitro-2-propyl-2H-pyrazole-3-carboxylic acid
SMILES: CCCN1C(=CC(=N1)[N+](=O)[O-])C(=O)O
Tpsa: 98.26
Logp: 0.8995
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 4
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₉N₃O₄
Molecular Weight:
199.16
Synonyms:
5-Nitro-2-propyl-2H-pyrazole-3-carboxylic acid
SMILES:
CCCN1C(=CC(=N1)[N+](=O)[O-])C(=O)O
Tpsa:
98.26
Logp:
0.8995
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
4
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₈INO
Molecular Weight: 321.11
Synonyms: 5-Iodo-3-phenyl-benzo[c]isoxazole
SMILES: C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)I
Tpsa: 26.03
Logp: 4.0994
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₈INO
Molecular Weight:
321.11
Synonyms:
5-Iodo-3-phenyl-benzo[c]isoxazole
SMILES:
C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)I
Tpsa:
26.03
Logp:
4.0994
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₃N₃
Molecular Weight: 139.20
Synonyms: 5-Aminomethyl-1-ethyl-3-methylpyrazole
SMILES: CCN1C(=CC(=N1)C)CN
Tpsa: 43.84
Logp: 0.67012
H Acceptors: 3
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:
C₇H₁₃N₃
Molecular Weight:
139.20
Synonyms:
5-Aminomethyl-1-ethyl-3-methylpyrazole
SMILES:
CCN1C(=CC(=N1)C)CN
Tpsa:
43.84
Logp:
0.67012
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2