CS-1086945
2-(Cyanomethyl)-3,3,3-trifluoropropanoic acid
Manufacturer: ChemScene
CAS Number: 2940948-03-6
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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
C₅H₄F₃NO₂
Molecular Weight
167.09
Synonyms
None
SMILES
N#CCC(C(=O)O)C(F)(F)F
Tpsa
61.09
Logp
1.16318
H Acceptors
2
H Donors
1
Rotatable Bonds
2
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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: C₅H₄F₃NO₂
Molecular Weight: 167.09
Synonyms: None
SMILES: N#CCC(C(=O)O)C(F)(F)F
Tpsa: 61.09
Logp: 1.16318
H Acceptors: 2
H Donors: 1
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:
C₅H₄F₃NO₂
Molecular Weight:
167.09
Synonyms:
None
SMILES:
N#CCC(C(=O)O)C(F)(F)F
Tpsa:
61.09
Logp:
1.16318
H Acceptors:
2
H Donors:
1
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: C₇H₂Cl₂N₄
Molecular Weight: 213.02
Synonyms: None
SMILES: N#CC=1C=C2C(Cl)=NC(Cl)=NN2C1
Tpsa: 53.98
Logp: 1.90778
H Acceptors: 4
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:
C₇H₂Cl₂N₄
Molecular Weight:
213.02
Synonyms:
None
SMILES:
N#CC=1C=C2C(Cl)=NC(Cl)=NN2C1
Tpsa:
53.98
Logp:
1.90778
H Acceptors:
4
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: C₈H₄BrN₃
Molecular Weight: 222.04
Synonyms: None
SMILES: N#CC1=CC(Br)=CN2N=CC=C12
Tpsa: 41.09
Logp: 1.96848
H Acceptors: 3
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:
C₈H₄BrN₃
Molecular Weight:
222.04
Synonyms:
None
SMILES:
N#CC1=CC(Br)=CN2N=CC=C12
Tpsa:
41.09
Logp:
1.96848
H Acceptors:
3
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: C₅H₇BrFN₃O₂S
Molecular Weight: 272.10
Synonyms: None
SMILES: O=S(=O)(N1N=CC(F)=C1Br)N(C)C
Tpsa: 55.2
Logp: 0.4392
H Acceptors: 4
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:
C₅H₇BrFN₃O₂S
Molecular Weight:
272.10
Synonyms:
None
SMILES:
O=S(=O)(N1N=CC(F)=C1Br)N(C)C
Tpsa:
55.2
Logp:
0.4392
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2