({6-bromo-3-[(2-methoxyphenyl)carbamoyl]naphthalen-2-yl}oxy)phosphonic acid

• ChemBase ID: 102637
• Molecular Formular: C18H15BrNO6P
• Molecular Mass: 452.192561
• Monoisotopic Mass: 450.98203584
• SMILES: COc1c(NC(=O)c2c(OP(=O)(O)O)cc3ccc(Br)cc3c2)cccc1
• Canonical SMILES: COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1OP(=O)(O)O
• InChI: InChI=1S/C18H15BrNO6P/c1-25-16-5-3-2-4-15(16)20-18(21)14-9-12-8-13(19)7-6-11(12)10-17(14)26-27(22,23)24/h2-10H,1H3,(H,20,21)(H2,22,23,24)
• InChIKey: HUXIAXQSTATULQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({6-bromo-3-[(2-methoxyphenyl)carbamoyl]naphthalen-2-yl}oxy)phosphonic acid
• IUPAC Traditional name: {6-bromo-3-[(2-methoxyphenyl)carbamoyl]naphthalen-2-yl}oxyphosphonic acid
• Synonyms: Naphthol AS-BI phosphate; 7-Bromo-3-hydroxy-2-naphthoic-o-anisidide phosphate; NAPHTHOL AS-BI PHOSPHATE; Naphthol AS-BI Phosphoric acid solution; Naphthol AS-BI Phosphoric acid solution; Naphthol AS-BI Phosphoric Acid

Database IDs

• CAS Number: 1919-91-1
• EC Number: 231-791-2; 217-645-0
• MDL Number: MFCD00004058
• Beilstein Number: 6668526
• PubChem SID: 162088162; 24850853; 24864087; 24897552; 24864118
• PubChem CID: 74715

CALCULATED PROPERTIES

• Acid pKa: 1.7435911
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 1.3238173
• LogD (pH = 7.4): 0.57248515
• Log P: 3.7082582
• Molar Refractivity: 104.9815 cm^3
• Polarizability: 40.66261 Å^3
• Polar Surface Area: 105.09 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 136.4 °F; 36 °C; 58 °C; 96.8 °F

Safety Information

• Storage Condition: 0°C
• European Hazard Symbols: Toxic (T); Irritant (Xi)
• UN Number: 1993; 2265
• German water hazard class: 2; 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-20/21/22-39/23/24/25; 36/37/38; 61-20/21-36
• Safety Statements: 26-36; 36/37; 53-26-36/37-45
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H226-H302 + H312 + H332-H318-H370; H226-H312 + H332-H319-H360D; H315-H319-H335
• GHS Precautionary statements: P201-P280-P305 + P351 + P338-P308 + P313; P260-P280-P305 + P351 + P338-P307 + P311; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3; UN 2265 3/PG 3
• Storage Temperature: -20°C; 2-8°C

Product Information

• Purity: ≥95.0% (HPLC); 98%
• Grade: for histology
• Clinical: for in vitro diagnostic use
• Shelf Life: (Expiry date on the label.)
• Quality Level: IVD
• Empirical Formula (Hill Notation): C18H15BrNO6P

DETAILS

MP Biomedicals - 02102415

Substrate for assay of acid phosphatase by flow cytometry.

Sigma Aldrich - 1802

Components
Napthol AS-BI phosphoric Acid, 4 g/L, in methanol solution with stabilizers.
Application
For use in the Sigma Lymphocyte Enzyme (Acid Phosphatase) Procedure, No. 181A

Sigma Aldrich - 3864

Components
Napthol AS-BI phosphoric acid, 12.5 mg/mL in N,N-dimethyl formamide.
Application
For use in Sigma Acid Phosphatase Procedure No. 386.

Sigma Aldrich - 3871

Components
Napthol AS-BI phosphoric acid, 12.5 mg/mL.
Application
For use in the Sigma Acid Phosphatase (TRAP) Procedure, Kit 387A

Sigma Aldrich - 229377

Application
Substrate for the histochemical demonstration of acid and alkaline phosphatase. Substrate for the fluorometric assay of acid and alkaline phosphatases.1 Demonstration of acid phosphatase in paraffin embedded tissue.2 Cytofluorometric assay of acid phosphatase in single living cells.3
Substrates
Substrate for the histochemical demonstration of acid and alkaline phosphatase.

Sigma Aldrich - 70482

Application
Substrate for the histochemical demonstration of acid and alkaline phosphatase. Substrate for the fluorometric assay of acid and alkaline phosphatases.1 Demonstration of acid phosphatase in paraffin embedded tissue.2 Cytofluorometric assay of acid phosphatase in single living cells.3
Substrates
Substrate for the histochemical demonstration of acid and alkaline phosphatase.

Sigma Aldrich - N2125

Application
Substrate for the histochemical demonstration of acid and alkaline phosphatase. Substrate for the fluorometric assay of acid and alkaline phosphatases.1 Demonstration of acid phosphatase in paraffin embedded tissue.2 Cytofluorometric assay of acid phosphatase in single living cells.3
Substrates
Substrate for the histochemical demonstration of acid and alkaline phosphatase.