CS-0746793
Methyl 3-(chlorosulfonyl)-4-(trifluoromethyl)benzoate
Manufacturer: ChemScene
CAS Number: 2219376-07-3
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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
C₉H₆ClF₃O₄S
Molecular Weight
302.65
Synonyms
None
SMILES
COC(=O)C1=CC=C(C(=C1)S(Cl)(=O)=O)C(F)(F)F
Tpsa
60.44
Logp
2.4195
H Acceptors
4
H Donors
0
Rotatable Bonds
2
SAFETY INFORMATION
Pictograms
Signal Word
Danger
UN Number
3261
Class
8
Packing Group
Ⅱ
Hazard Statements
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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: C₉H₆ClF₃O₄S
Molecular Weight: 302.65
Synonyms: None
SMILES: COC(=O)C1=CC=C(C(=C1)S(Cl)(=O)=O)C(F)(F)F
Tpsa: 60.44
Logp: 2.4195
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:
C₉H₆ClF₃O₄S
Molecular Weight:
302.65
Synonyms:
None
SMILES:
COC(=O)C1=CC=C(C(=C1)S(Cl)(=O)=O)C(F)(F)F
Tpsa:
60.44
Logp:
2.4195
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: C₁₉H₂₂O₃
Molecular Weight: 298.38
Synonyms: None
SMILES: [H][C@@]12CCC(=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
Tpsa: 51.21
Logp: 3.0424
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:
C₁₉H₂₂O₃
Molecular Weight:
298.38
Synonyms:
None
SMILES:
[H][C@@]12CCC(=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
Tpsa:
51.21
Logp:
3.0424
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
0
Purity: 97%
MDL No: MFCD16892496
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₂₂N₂O₄S
Molecular Weight: 278.37
Synonyms: None
SMILES: CCS(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Tpsa: 66.92
Logp: 0.8888
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 2
Purity:
97%
MDL No:
MFCD16892496
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₂₂N₂O₄S
Molecular Weight:
278.37
Synonyms:
None
SMILES:
CCS(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Tpsa:
66.92
Logp:
0.8888
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: C₇H₅FN₂O
Molecular Weight: 152.13
Synonyms: None
SMILES: COC1=C(C=NC(F)=C1)C#N
Tpsa: 45.91
Logp: 1.10098
H Acceptors: 3
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:
C₇H₅FN₂O
Molecular Weight:
152.13
Synonyms:
None
SMILES:
COC1=C(C=NC(F)=C1)C#N
Tpsa:
45.91
Logp:
1.10098
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1