4-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzoic acid

Name: 4-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzoic acid
Brand: ChemScene
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CAS No. 1072960-67-8
Cat. No. CS-0509795
Purity≥98%
MDL No.MFCD26793795

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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4-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzoic acid|CS-0509795

Structure of 1072960-67-8

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General Information

CAS No. 1072960-67-8
Cat. No. CS-0509795
Purity ≥98%
MDL No. MFCD26793795
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₂BNO₆
Molecular Weight 277.04
Synonym(s) Hydrogen 8-(4-carboxylatophenyl)-4-methyl-2,6-dioxohexahydro-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborol-4-ium-8-uide
SMILES O=C(O)C1=CC=C(B(OC(CN(C)C2)=O)OC2=O)C=C1

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

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Computational Chemistry Data

TPSA 93.14
LogP -0.8882
H_Acceptors 6
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzoic acid

CAS No. 1072960-67-8

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