CS-1004076
1,4-Cyclohexadiene-1-sulfonic acid, 3,6-dioxo-, sodium salt 1:1
Manufacturer: ChemScene
CAS Number: 51579-78-3
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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
C₆H₄NaO₅S
Molecular Weight
211.15
Synonyms
None
SMILES
[Na].O=C1C=CC(=O)C(=C1)S(=O)(=O)O
Tpsa
88.51
Logp
-0.9147
H Acceptors
4
H Donors
1
Rotatable Bonds
1
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₆H₄NaO₅S
Molecular Weight: 211.15
Synonyms: None
SMILES: [Na].O=C1C=CC(=O)C(=C1)S(=O)(=O)O
Tpsa: 88.51
Logp: -0.9147
H Acceptors: 4
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:
C₆H₄NaO₅S
Molecular Weight:
211.15
Synonyms:
None
SMILES:
[Na].O=C1C=CC(=O)C(=C1)S(=O)(=O)O
Tpsa:
88.51
Logp:
-0.9147
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₃F₃N₂
Molecular Weight: 302.29
Synonyms: None
SMILES: FC(F)(F)C1=NN(C=2C=CC=CC2)C(=C1)C=3C=CC(=CC3)C
Tpsa: 17.82
Logp: 4.86652
H Acceptors: 2
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:
C₁₇H₁₃F₃N₂
Molecular Weight:
302.29
Synonyms:
None
SMILES:
FC(F)(F)C1=NN(C=2C=CC=CC2)C(=C1)C=3C=CC(=CC3)C
Tpsa:
17.82
Logp:
4.86652
H Acceptors:
2
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: C₁₅H₁₃ClN₂O₂
Molecular Weight: 288.73
Synonyms: None
SMILES: C(=N/O)(\C1=C(NC(C)=O)C=CC(Cl)=C1)/C2=CC=CC=C2
Tpsa: 61.69
Logp: 3.525
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₃ClN₂O₂
Molecular Weight:
288.73
Synonyms:
None
SMILES:
C(=N/O)(\C1=C(NC(C)=O)C=CC(Cl)=C1)/C2=CC=CC=C2
Tpsa:
61.69
Logp:
3.525
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₆O₃
Molecular Weight: 314.42
Synonyms: None
SMILES: C(/C=C\1/C=2C(=CC(OC)=CC2)CCC1)[C@]3(CC)[C@@H](O)CCC3=O
Tpsa: 46.53
Logp: 3.9252
H Acceptors: 3
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:
C₂₀H₂₆O₃
Molecular Weight:
314.42
Synonyms:
None
SMILES:
C(/C=C\1/C=2C(=CC(OC)=CC2)CCC1)[C@]3(CC)[C@@H](O)CCC3=O
Tpsa:
46.53
Logp:
3.9252
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4