CS-1066753
5-Bromo-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carbonitrile
Manufacturer: ChemScene
CAS Number: 2816821-92-6
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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
C₆H₃BrF₃N₃
Molecular Weight
254.01
Synonyms
None
SMILES
N#CC=1C=NN(C1Br)CC(F)(F)F
Tpsa
41.61
Logp
2.07958
H Acceptors
3
H Donors
0
Rotatable Bonds
1
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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: C₆H₃BrF₃N₃
Molecular Weight: 254.01
Synonyms: None
SMILES: N#CC=1C=NN(C1Br)CC(F)(F)F
Tpsa: 41.61
Logp: 2.07958
H Acceptors: 3
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:
C₆H₃BrF₃N₃
Molecular Weight:
254.01
Synonyms:
None
SMILES:
N#CC=1C=NN(C1Br)CC(F)(F)F
Tpsa:
41.61
Logp:
2.07958
H Acceptors:
3
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: C₁₄H₂₃NO₆
Molecular Weight: 301.34
Synonyms: None
SMILES: C(OC)(=O)[C@@H]1[C@@H](C(OC)=O)CCN(C(OC(C)(C)C)=O)C1
Tpsa: 82.14
Logp: 1.2056
H Acceptors: 6
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:
C₁₄H₂₃NO₆
Molecular Weight:
301.34
Synonyms:
None
SMILES:
C(OC)(=O)[C@@H]1[C@@H](C(OC)=O)CCN(C(OC(C)(C)C)=O)C1
Tpsa:
82.14
Logp:
1.2056
H Acceptors:
6
H Donors:
0
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: C₁₂H₂₁NO₅
Molecular Weight: 259.30
Synonyms: None
SMILES: C(OCC)(=O)[C@H]1CN(C(OC(C)(C)C)=O)C[C@H]1O
Tpsa: 76.07
Logp: 0.7773
H Acceptors: 5
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:
C₁₂H₂₁NO₅
Molecular Weight:
259.30
Synonyms:
None
SMILES:
C(OCC)(=O)[C@H]1CN(C(OC(C)(C)C)=O)C[C@H]1O
Tpsa:
76.07
Logp:
0.7773
H Acceptors:
5
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: C₁₁H₁₉NO₄
Molecular Weight: 229.27
Synonyms: None
SMILES: C(OC(C)(C)C)(=O)N1[C@H](C)[C@@H](C(OC)=O)C1
Tpsa: 55.84
Logp: 1.4148
H Acceptors: 4
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:
C₁₁H₁₉NO₄
Molecular Weight:
229.27
Synonyms:
None
SMILES:
C(OC(C)(C)C)(=O)N1[C@H](C)[C@@H](C(OC)=O)C1
Tpsa:
55.84
Logp:
1.4148
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1