7-Bromo-N-(2-methoxyphenyl)-3-(phosphonooxy)-2-naphthalenecarboxamide
Basic information
- CAS
1919-91-1- Standard SMILES
COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1OP(=O)(O)O- InChIKey
HUXIAXQSTATULQ-UHFFFAOYSA-N- Molecular formula
- C18H15BrNO6P
- Average molar mass
- 452.2 g/mol
- Monoisotopic mass
- 450.98204
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- 7-Bromo-N-(2-methoxyphenyl)-3-(phosphonooxy)-2-naphthalenecarboxamide
- IUPAC
- [6-bromo-3-[(2-methoxyphenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate
- English name
- NAPHTHOL AS-BI PHOSPHATE
- Molecular formula
- C18H15BrNO6P
- Molecular weight
- 452.19
Names & synonyms
1919-91-1Naphthol AS-BI phosphate2-Naphthalenecarboxamide, 7-bromo-N-(2-methoxyphenyl)-3-(phosphonooxy)-DTXSID4062062AUN3CNR8VN7-Bromo-N-(2-methoxyphenyl)-3-(phosphonooxy)-2-naphthalenecarboxamideRefChem:832039DTXCID30360282-Naphthalenecarboxamide,7-bromo-N-(2-methoxyphenyl)-3-(phosphonooxy)-217-645-0Naphthol AS-BI-phosphate6-bromo-3-((2-methoxyphenyl)carbamoyl)naphthalen-2-yl dihydrogen phosphate
Show more names
NaphtholAS-BIphosphatNaphthol AS-BI phosphate,93%Naphthol AS-BI phosphate ,95%NAPHTHOL AS-BL PHOSPHORIC ACIDNAPHTHOL-AS-BI-PHOSPHATE extrapureNAPHTHOL AS-BI-PHOSPHATE, FOR HISTOLOGYNAPHTHOL AS-BI PHOSPHATE, TECHNICAL GRADENAPHTHOL AS-BI-PHOSPHATE FOR HISTOLOGY 98+%
7-Bromo-3-hydroxy-2-naphthoic-o-anisidide phosphateC18H15BrNO6PNaphthol aS bi phosphateNaphthol aS-bl phosphateNaphthol aS-bi phosphoric acidMFCD00004058[6-bromo-3-[(2-methoxyphenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphateSCHEMBL11979379
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 572
Physicochemical properties
- Density
- 1.679 · 1.679±0.06 g/cm3(Predicted)
- Flash point
- 37 °C · 37 °C
- storage temp.
- 2 · 2-8°C
- solubility
- 50 mg/mL · methanol: soluble50mg/mL
- pka
- 0.73 · 0.73±0.30(Predicted)
- form
- Crystalline Powder
- color
- Light yellow
- Appearance
- Solid Powder
- BRN
- 6668526 · 6668526
- Major Application
- diagnostic assay manufacturinghematologyhistology
- 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
- SMILES
- C1=C2C(C=CC(Br)=C2)=CC(OP(O)(O)=O)=C1C(NC1=CC=CC=C1OC)=O
- CAS DataBase Reference
- 1919 · 1919-91-1
- EPA Substance Registry System
- 2 · 2-Naphthalenecarboxamide, 7-bromo-N-(2-methoxyphenyl)-3-(phosphonooxy)- (1919-91-1)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 8-10-21
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2265 3/PG 3
- hs_code
- 29089990
- risk_code
- 61-20/21-36/37/38-39/23/24/25-20/21/22-10-34-11-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T,Xi,C,F
- safety_code
- 7-16-36/37-45-36-26-36/37/39-23-53
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenecarboxamide, 7-bromo-N-(2-methoxyphenyl)-3-(phosphonooxy)-: ACTIVE
Applications
DescriptionNaphthol AS-BI-phosphate is a fluorogenic substrate for acid and alkaline phosphatases. Naphthol AS-BI-phosphate is cleaved to release the fluorescent moiety naphthol AS-BI (N-ASBI), which can be used to quantify the activity of acid and alkaline phosphatases. Acid and alkaline phosphatases are commonly used for diagnosis of diseases.
UsesNaphthol AS-BI phosphate is suitable to use: in tartrate-resistant acid phosphatase (TRAP) staining to detect osteoclast activity as a component in Tris-HCl in staining cells to measure alkaline phosphatase (ALP) activityto perform alkaline phosphatase reaction', 'Substrate for the histochemical demonstration of acid and alkaline phosphatase. Substrate for the fluorometric assay of acid and alkaline phosphatases. Demonstration of acid phosphatase in paraffin embedded tissue. Cytofluorometric assay of acid phosphatase in single living cells.
Upstream & downstream products
Upstream raw materials
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