CS-0530787
4-(4-(Trifluoromethyl)phenyl)but-3-yn-2-one
Manufacturer: ChemScene
CAS Number: 681432-15-5
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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
C₁₁H₇F₃O
Molecular Weight
212.17
Synonyms
4-[4-(Trifluoromethyl)phenyl]but-3-yn-2-one
SMILES
CC(C#CC1=CC=C(C(F)(F)F)C=C1)=O
Tpsa
17.07
Logp
2.6459
H Acceptors
1
H Donors
0
Rotatable Bonds
0
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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: C₁₁H₇F₃O
Molecular Weight: 212.17
Synonyms: 4-[4-(Trifluoromethyl)phenyl]but-3-yn-2-one
SMILES: CC(C#CC1=CC=C(C(F)(F)F)C=C1)=O
Tpsa: 17.07
Logp: 2.6459
H Acceptors: 1
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:
C₁₁H₇F₃O
Molecular Weight:
212.17
Synonyms:
4-[4-(Trifluoromethyl)phenyl]but-3-yn-2-one
SMILES:
CC(C#CC1=CC=C(C(F)(F)F)C=C1)=O
Tpsa:
17.07
Logp:
2.6459
H Acceptors:
1
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: C₅H₉F₂N
Molecular Weight: 121.13
Synonyms: None
SMILES: NC[C@H]1C(F)(F)CC1
Tpsa: 26.02
Logp: 0.9904
H Acceptors: 1
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:
C₅H₉F₂N
Molecular Weight:
121.13
Synonyms:
None
SMILES:
NC[C@H]1C(F)(F)CC1
Tpsa:
26.02
Logp:
0.9904
H Acceptors:
1
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: C₁₀H₇NO₃
Molecular Weight: 189.17
Synonyms: None
SMILES: CC(C#CC1=CC=C([N+]([O-])=O)C=C1)=O
Tpsa: 60.21
Logp: 1.5353
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:
C₁₀H₇NO₃
Molecular Weight:
189.17
Synonyms:
None
SMILES:
CC(C#CC1=CC=C([N+]([O-])=O)C=C1)=O
Tpsa:
60.21
Logp:
1.5353
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: C₄H₉F₂NO
Molecular Weight: 125.12
Synonyms: None
SMILES: CC(OC(F)F)CN
Tpsa: 35.25
Logp: 0.5728
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:
C₄H₉F₂NO
Molecular Weight:
125.12
Synonyms:
None
SMILES:
CC(OC(F)F)CN
Tpsa:
35.25
Logp:
0.5728
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3