2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}benzoic acid

Name: 2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}benzoic acid
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CAS No. 1545-75-1
Cat. No. CS-0218155
Molecule weight343.28
Purity≥97%
MDL No.None

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}benzoic acid|CS-0218155

Structure of 1545-75-1

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General Information

CAS No. 1545-75-1
Cat. No. CS-0218155
Purity ≥97%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₈F₃NO₄S
Molecular Weight 343.28
Synonym(s) 2-(2-Nitro-4-trifluormethyl-phenylmercapto)-benzoesaeure
SMILES C1=CC=C(C(=C1)C(=O)O)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 80.44
LogP 4.463
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 4

Other Classifications

Building Blocks Functional Group Thioether

Building Blocks Functional Group Carboxylic Acid

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}benzoic acid

CAS No. 1545-75-1

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