CS-0783530
1-(3,3,3-Trifluoropropyl)-1H-1,2,4-triazole-3-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1554204-10-2
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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
C₆H₆F₃N₃O₂
Molecular Weight
209.13
Synonyms
None
SMILES
O=C(C1=NN(CCC(F)(F)F)C=N1)O
Tpsa
68.01
Logp
0.9287
H Acceptors
4
H Donors
1
Rotatable Bonds
3
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: C₆H₆F₃N₃O₂
Molecular Weight: 209.13
Synonyms: None
SMILES: O=C(C1=NN(CCC(F)(F)F)C=N1)O
Tpsa: 68.01
Logp: 0.9287
H Acceptors: 4
H Donors: 1
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:
C₆H₆F₃N₃O₂
Molecular Weight:
209.13
Synonyms:
None
SMILES:
O=C(C1=NN(CCC(F)(F)F)C=N1)O
Tpsa:
68.01
Logp:
0.9287
H Acceptors:
4
H Donors:
1
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: C₇H₁₈Cl₂N₂
Molecular Weight: 201.14
Synonyms: None
SMILES: CN1CC(NC)CCC1.[H]Cl.[H]Cl
Tpsa: 15.27
Logp: 1.1436
H Acceptors: 2
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:
C₇H₁₈Cl₂N₂
Molecular Weight:
201.14
Synonyms:
None
SMILES:
CN1CC(NC)CCC1.[H]Cl.[H]Cl
Tpsa:
15.27
Logp:
1.1436
H Acceptors:
2
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: C₆H₉F₃O₃
Molecular Weight: 186.13
Synonyms: None
SMILES: C[C@@H](OC(C)C(F)(F)F)C(O)=O
Tpsa: 46.53
Logp: 1.4269
H Acceptors: 2
H Donors: 1
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:
C₆H₉F₃O₃
Molecular Weight:
186.13
Synonyms:
None
SMILES:
C[C@@H](OC(C)C(F)(F)F)C(O)=O
Tpsa:
46.53
Logp:
1.4269
H Acceptors:
2
H Donors:
1
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: C₆H₁₂ClN
Molecular Weight: 133.62
Synonyms: None
SMILES: [H][C@@]1(NCC2)[C@@]2([H])CC1.Cl
Tpsa: 12.03
Logp: 1.1801
H Acceptors: 1
H Donors: 1
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:
C₆H₁₂ClN
Molecular Weight:
133.62
Synonyms:
None
SMILES:
[H][C@@]1(NCC2)[C@@]2([H])CC1.Cl
Tpsa:
12.03
Logp:
1.1801
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
0