CS-0877569
3-(3,5-Bis(trifluoromethyl)phenyl)-2-chloropropanenitrile
Manufacturer: ChemScene
CAS Number: 646497-78-1
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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
C₁₁H₆ClF₆N
Molecular Weight
301.62
Synonyms
None
SMILES
C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CC(C#N)Cl
Tpsa
23.79
Logp
4.39768
H Acceptors
1
H Donors
0
Rotatable Bonds
2
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: C₁₁H₆ClF₆N
Molecular Weight: 301.62
Synonyms: None
SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CC(C#N)Cl
Tpsa: 23.79
Logp: 4.39768
H Acceptors: 1
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:
C₁₁H₆ClF₆N
Molecular Weight:
301.62
Synonyms:
None
SMILES:
C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CC(C#N)Cl
Tpsa:
23.79
Logp:
4.39768
H Acceptors:
1
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: C₁₄H₈F₃NO₅
Molecular Weight: 327.21
Synonyms: None
SMILES: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C2=CC=C(O2)C=CC(=O)O
Tpsa: 93.58
Logp: 3.9714
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 4
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₈F₃NO₅
Molecular Weight:
327.21
Synonyms:
None
SMILES:
C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C2=CC=C(O2)C=CC(=O)O
Tpsa:
93.58
Logp:
3.9714
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₂₀BrF₆N
Molecular Weight: 432.24
Synonyms: None
SMILES: CC[N+](CC)(CC)CC#CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F.[Br-]
Tpsa: 0
Logp: 1.9562
H Acceptors: 0
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₀BrF₆N
Molecular Weight:
432.24
Synonyms:
None
SMILES:
CC[N+](CC)(CC)CC#CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F.[Br-]
Tpsa:
0
Logp:
1.9562
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₀BrF₂N
Molecular Weight: 286.12
Synonyms: None
SMILES: C1=CC=[N+](C=C1)CC2=C(C=CC=C2F)F.[Br-]
Tpsa: 3.88
Logp: -0.6954
H Acceptors: 0
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:
C₁₂H₁₀BrF₂N
Molecular Weight:
286.12
Synonyms:
None
SMILES:
C1=CC=[N+](C=C1)CC2=C(C=CC=C2F)F.[Br-]
Tpsa:
3.88
Logp:
-0.6954
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
2