CS-0530889
4-(3,3,3-Trifluoroprop-1-en-2-yl)benzonitrile
Manufacturer: ChemScene
CAS Number: 471856-97-0
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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
C₁₀H₆F₃N
Molecular Weight
197.16
Synonyms
None
SMILES
N#CC1=CC=C(C(C(F)(F)F)=C)C=C1
Tpsa
23.79
Logp
3.13378
H Acceptors
1
H Donors
0
Rotatable Bonds
1
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: C₁₀H₆F₃N
Molecular Weight: 197.16
Synonyms: None
SMILES: N#CC1=CC=C(C(C(F)(F)F)=C)C=C1
Tpsa: 23.79
Logp: 3.13378
H Acceptors: 1
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:
C₁₀H₆F₃N
Molecular Weight:
197.16
Synonyms:
None
SMILES:
N#CC1=CC=C(C(C(F)(F)F)=C)C=C1
Tpsa:
23.79
Logp:
3.13378
H Acceptors:
1
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: C₇H₇ClFNO
Molecular Weight: 175.59
Synonyms: None
SMILES: FC1=C(C(OC)=CC=C1N)Cl
Tpsa: 35.25
Logp: 2.0699
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:
C₇H₇ClFNO
Molecular Weight:
175.59
Synonyms:
None
SMILES:
FC1=C(C(OC)=CC=C1N)Cl
Tpsa:
35.25
Logp:
2.0699
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: C₈H₉ClN₂O
Molecular Weight: 184.62
Synonyms: None
SMILES: ClC1=C2C(C(C[C@H]2C)O)=NC=N1
Tpsa: 46.01
Logp: 1.6706
H Acceptors: 3
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:
C₈H₉ClN₂O
Molecular Weight:
184.62
Synonyms:
None
SMILES:
ClC1=C2C(C(C[C@H]2C)O)=NC=N1
Tpsa:
46.01
Logp:
1.6706
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0
Purity: 95%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₄Cl₂N₂O₂
Molecular Weight: 207.01
Synonyms: None
SMILES: O=[N+](C1=C(C)N=C(Cl)C(Cl)=C1)[O-]
Tpsa: 56.03
Logp: 2.60502
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₄Cl₂N₂O₂
Molecular Weight:
207.01
Synonyms:
None
SMILES:
O=[N+](C1=C(C)N=C(Cl)C(Cl)=C1)[O-]
Tpsa:
56.03
Logp:
2.60502
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1