CS-1031609
4-Acetyl-3-(trifluoromethyl)benzonitrile
Manufacturer: ChemScene
CAS Number: 1807077-94-6
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Purity
≥95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₀H₆F₃NO
Molecular Weight
213.16
Synonyms
None
SMILES
N#CC1=CC=C(C(=O)C)C(=C1)C(F)(F)F
Tpsa
40.86
Logp
2.77968
H Acceptors
2
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: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₆F₃NO
Molecular Weight: 213.16
Synonyms: None
SMILES: N#CC1=CC=C(C(=O)C)C(=C1)C(F)(F)F
Tpsa: 40.86
Logp: 2.77968
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 1
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₆F₃NO
Molecular Weight:
213.16
Synonyms:
None
SMILES:
N#CC1=CC=C(C(=O)C)C(=C1)C(F)(F)F
Tpsa:
40.86
Logp:
2.77968
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₆O₂
Molecular Weight: 192.25
Synonyms: None
SMILES: O=C(C1=CC=C(O)C(=C1)C(C)C)CC
Tpsa: 37.3
Logp: 3.1083
H Acceptors: 2
H Donors: 1
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:
C₁₂H₁₆O₂
Molecular Weight:
192.25
Synonyms:
None
SMILES:
O=C(C1=CC=C(O)C(=C1)C(C)C)CC
Tpsa:
37.3
Logp:
3.1083
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₈BrNO₃
Molecular Weight: 246.06
Synonyms: None
SMILES: O=C(OCC)C1=NC(Br)=CC=C1O
Tpsa: 59.42
Logp: 1.7264
H Acceptors: 4
H Donors: 1
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:
C₈H₈BrNO₃
Molecular Weight:
246.06
Synonyms:
None
SMILES:
O=C(OCC)C1=NC(Br)=CC=C1O
Tpsa:
59.42
Logp:
1.7264
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₇ClF₃NO₂
Molecular Weight: 253.61
Synonyms: None
SMILES: O=C(OCC)C1=CN=C(Cl)C(=C1)C(F)(F)F
Tpsa: 39.19
Logp: 2.9305
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₇ClF₃NO₂
Molecular Weight:
253.61
Synonyms:
None
SMILES:
O=C(OCC)C1=CN=C(Cl)C(=C1)C(F)(F)F
Tpsa:
39.19
Logp:
2.9305
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2