CS-0915179
Ibuprofen Impurity 31
Manufacturer: ChemScene
CAS Number: 89878-75-1
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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
C₁₈H₂₇ClO₂
Molecular Weight
310.86
Synonyms
None
SMILES
O=C(OCC(C)(C)CCl)C(C1=CC=C(C=C1)CC(C)C)C
Tpsa
26.3
Logp
4.7968
H Acceptors
2
H Donors
0
Rotatable Bonds
7
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: C₁₈H₂₇ClO₂
Molecular Weight: 310.86
Synonyms: None
SMILES: O=C(OCC(C)(C)CCl)C(C1=CC=C(C=C1)CC(C)C)C
Tpsa: 26.3
Logp: 4.7968
H Acceptors: 2
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:
C₁₈H₂₇ClO₂
Molecular Weight:
310.86
Synonyms:
None
SMILES:
O=C(OCC(C)(C)CCl)C(C1=CC=C(C=C1)CC(C)C)C
Tpsa:
26.3
Logp:
4.7968
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
7
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₆O₄
Molecular Weight: 224.25
Synonyms: None
SMILES: O=C(C1=CC=C(OCCCO)C(OC)=C1)C
Tpsa: 55.76
Logp: 1.659
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 6
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₆O₄
Molecular Weight:
224.25
Synonyms:
None
SMILES:
O=C(C1=CC=C(OCCCO)C(OC)=C1)C
Tpsa:
55.76
Logp:
1.659
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
6
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₂₂O₆S
Molecular Weight: 378.44
Synonyms: None
SMILES: O=C(C1=CC=C(OCCCOS(=O)(=O)C2=CC=C(C=C2)C)C(OC)=C1)C
Tpsa: 78.9
Logp: 3.38062
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 9
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₂₂O₆S
Molecular Weight:
378.44
Synonyms:
None
SMILES:
O=C(C1=CC=C(OCCCOS(=O)(=O)C2=CC=C(C=C2)C)C(OC)=C1)C
Tpsa:
78.9
Logp:
3.38062
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₃BrO₃S
Molecular Weight: 293.18
Synonyms: None
SMILES: O=S(=O)(OCCCBr)C1=CC=C(C=C1)C
Tpsa: 43.37
Logp: 2.48532
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₃BrO₃S
Molecular Weight:
293.18
Synonyms:
None
SMILES:
O=S(=O)(OCCCBr)C1=CC=C(C=C1)C
Tpsa:
43.37
Logp:
2.48532
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
5