CS-0331361
3-(Tert-butyl)-4-chloro-1-methyl-1H-pyrazole-5-carboxylic acid
Manufacturer: ChemScene
CAS Number: 685513-51-3
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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
C₉H₁₃ClN₂O₂
Molecular Weight
216.66
Synonyms
5-tert-Butyl-4-chloro-2-methyl-2H-pyrazole-3-carboxylic acid
SMILES
CC(C)(C)C1=NN(C)C(=C1Cl)C(=O)O
Tpsa
55.12
Logp
2.0692
H Acceptors
3
H Donors
1
Rotatable Bonds
1
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 685513-51-3 | 3-(tert-butyl)-4-chloro-1-methyl-1H-pyrazole-5-carboxylic acid | A2B Chem | -- |
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SAFETY INFORMATION
Pictograms
Signal Word
Danger
UN Number
2811
Class
6.1
Packing Group
Ⅲ
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-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: C₉H₁₃ClN₂O₂
Molecular Weight: 216.66
Synonyms: 5-tert-Butyl-4-chloro-2-methyl-2H-pyrazole-3-carboxylic acid
SMILES: CC(C)(C)C1=NN(C)C(=C1Cl)C(=O)O
Tpsa: 55.12
Logp: 2.0692
H Acceptors: 3
H Donors: 1
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:
C₉H₁₃ClN₂O₂
Molecular Weight:
216.66
Synonyms:
5-tert-Butyl-4-chloro-2-methyl-2H-pyrazole-3-carboxylic acid
SMILES:
CC(C)(C)C1=NN(C)C(=C1Cl)C(=O)O
Tpsa:
55.12
Logp:
2.0692
H Acceptors:
3
H Donors:
1
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: C₁₃H₁₆N₂O₃
Molecular Weight: 248.28
Synonyms: Hydantoin, 5-(p-isopropoxyphenyl)-5-methyl-
SMILES: CC(OC1=CC=C(C2(C(NC(N2)=O)=O)C)C=C1)C
Tpsa: 67.43
Logp: 1.5284
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₆N₂O₃
Molecular Weight:
248.28
Synonyms:
Hydantoin, 5-(p-isopropoxyphenyl)-5-methyl-
SMILES:
CC(OC1=CC=C(C2(C(NC(N2)=O)=O)C)C=C1)C
Tpsa:
67.43
Logp:
1.5284
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
3
Purity: 95+%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₁NS
Molecular Weight: 165.26
Synonyms: 5-TERT-BUTYLTHIOPHENE-2-CARBONITRILE
SMILES: CC(C)(C)C1=CC=C(C#N)S1
Tpsa: 23.79
Logp: 2.91728
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 0
Purity:
95+%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₁NS
Molecular Weight:
165.26
Synonyms:
5-TERT-BUTYLTHIOPHENE-2-CARBONITRILE
SMILES:
CC(C)(C)C1=CC=C(C#N)S1
Tpsa:
23.79
Logp:
2.91728
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: C₁₄H₁₄ClN₃O
Molecular Weight: 275.73
Synonyms: N-(3-chloro-4-methylphenyl)-N'-(6-methyl-2-pyridinyl)urea
SMILES: O=C(NC1=CC=C(C)C(Cl)=C1)NC2=NC(C)=CC=C2
Tpsa: 54.02
Logp: 3.99584
H Acceptors: 2
H Donors: 2
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:
C₁₄H₁₄ClN₃O
Molecular Weight:
275.73
Synonyms:
N-(3-chloro-4-methylphenyl)-N'-(6-methyl-2-pyridinyl)urea
SMILES:
O=C(NC1=CC=C(C)C(Cl)=C1)NC2=NC(C)=CC=C2
Tpsa:
54.02
Logp:
3.99584
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
2