CS-0173444
3-Ethyl-1,1,2-trimethyl-8-sulfo-1H-benzo[e]indol-3-ium-6-sulfonate
Manufacturer: ChemScene
CAS Number: 791576-54-0
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Purity
98%
MDL No
None
Storage
Store at room temperature, keep dry and cool
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₇H₁₉NO₆S₂
Molecular Weight
397.47
Synonyms
None
SMILES
O=S([O-])(C1=CC(S(=O)(O)=O)=CC2=C1C=CC3=C2C(C)(C)C(C)=[N+]3CC)=O
Tpsa
114.58
Logp
2.4066
H Acceptors
5
H Donors
1
Rotatable Bonds
3
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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: Store at room temperature, keep dry and cool
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₉NO₆S₂
Molecular Weight: 397.47
Synonyms: None
SMILES: O=S([O-])(C1=CC(S(=O)(O)=O)=CC2=C1C=CC3=C2C(C)(C)C(C)=[N+]3CC)=O
Tpsa: 114.58
Logp: 2.4066
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Store at room temperature, keep dry and cool
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₉NO₆S₂
Molecular Weight:
397.47
Synonyms:
None
SMILES:
O=S([O-])(C1=CC(S(=O)(O)=O)=CC2=C1C=CC3=C2C(C)(C)C(C)=[N+]3CC)=O
Tpsa:
114.58
Logp:
2.4066
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3
Purity: 97%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₄ClFN₂O₂
Molecular Weight: 190.56
Synonyms: None
SMILES: NC1=CC(Cl)=CC(F)=C1[N+]([O-])=O
Tpsa: 69.16
Logp: 1.9695
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₄ClFN₂O₂
Molecular Weight:
190.56
Synonyms:
None
SMILES:
NC1=CC(Cl)=CC(F)=C1[N+]([O-])=O
Tpsa:
69.16
Logp:
1.9695
H Acceptors:
3
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: C₁₆H₂₇BrOSi
Molecular Weight: 343.37
Synonyms: None
SMILES: CC[Si](OC(C1=CC(CBr)=CC=C1)(C)C)(CC)CC
Tpsa: 9.23
Logp: 5.8384
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₇BrOSi
Molecular Weight:
343.37
Synonyms:
None
SMILES:
CC[Si](OC(C1=CC(CBr)=CC=C1)(C)C)(CC)CC
Tpsa:
9.23
Logp:
5.8384
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
7
Purity: 95%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₅BrF₂O
Molecular Weight: 223.01
Synonyms: 4-Bromo-2,3-difluorobenzylalcohol
SMILES: OCC1=CC=C(Br)C(F)=C1F
Tpsa: 20.23
Logp: 2.2196
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₅BrF₂O
Molecular Weight:
223.01
Synonyms:
4-Bromo-2,3-difluorobenzylalcohol
SMILES:
OCC1=CC=C(Br)C(F)=C1F
Tpsa:
20.23
Logp:
2.2196
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
1