CS-0611673
1-(3-Ethynylphenyl)-1H-pyrrole-2,5-dione
Manufacturer: ChemScene
CAS Number: 105280-01-1
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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
C₁₂H₇NO₂
Molecular Weight
197.19
Synonyms
1H-Pyrrole-2,5-dione, 1-(3-ethynylphenyl)-
SMILES
O=C(C=C1)N(C2=CC=CC(C#C)=C2)C1=O
Tpsa
37.38
Logp
1.0973
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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₇NO₂
Molecular Weight: 197.19
Synonyms: 1H-Pyrrole-2,5-dione, 1-(3-ethynylphenyl)-
SMILES: O=C(C=C1)N(C2=CC=CC(C#C)=C2)C1=O
Tpsa: 37.38
Logp: 1.0973
H Acceptors: 2
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:
C₁₂H₇NO₂
Molecular Weight:
197.19
Synonyms:
1H-Pyrrole-2,5-dione, 1-(3-ethynylphenyl)-
SMILES:
O=C(C=C1)N(C2=CC=CC(C#C)=C2)C1=O
Tpsa:
37.38
Logp:
1.0973
H Acceptors:
2
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: C₁₃H₁₄FNO₂
Molecular Weight: 235.25
Synonyms: None
SMILES: O=C(OC(C)(C)C)NC1=CC=C(C#C)C(F)=C1
Tpsa: 38.33
Logp: 3.154
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:
C₁₃H₁₄FNO₂
Molecular Weight:
235.25
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)NC1=CC=C(C#C)C(F)=C1
Tpsa:
38.33
Logp:
3.154
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₄F₃N
Molecular Weight: 171.12
Synonyms: None
SMILES: FC(C1=C(C#C)C=NC=C1)(F)F
Tpsa: 12.89
Logp: 2.0817
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₄F₃N
Molecular Weight:
171.12
Synonyms:
None
SMILES:
FC(C1=C(C#C)C=NC=C1)(F)F
Tpsa:
12.89
Logp:
2.0817
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: C₉H₅F₃O₂S
Molecular Weight: 234.20
Synonyms: 1-ethynyl-4-[(trifluoromethyl)sulfonyl]benzene
SMILES: O=S(C1=CC=C(C#C)C=C1)(C(F)(F)F)=O
Tpsa: 34.14
Logp: 1.9614
H Acceptors: 2
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:
C₉H₅F₃O₂S
Molecular Weight:
234.20
Synonyms:
1-ethynyl-4-[(trifluoromethyl)sulfonyl]benzene
SMILES:
O=S(C1=CC=C(C#C)C=C1)(C(F)(F)F)=O
Tpsa:
34.14
Logp:
1.9614
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1