N-(3-nitrophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide
Basic information
- CAS
10019-03-1- Standard SMILES
O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2ccccc2cc1OP(=O)(O)O- InChIKey
JELNBKZALJBEFQ-UHFFFAOYSA-N- Molecular formula
- C17H13N2O7P
- Average molar mass
- 388.27 g/mol
- Monoisotopic mass
- 388.04603776
Names & identifiers
- Preferred name
- N-(3-nitrophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide
- IUPAC
- [3-[(3-nitrophenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate
- English name
- Naphthol as-BS phosphate
- Molecular formula
- C17H13N2O7P
- Molecular weight
- 388.27
Names & synonyms
10019-03-1N-(3-Nitrophenyl)-3-(phosphonooxy)naphthalene-2-carboxamideEINECS 233-014-2DTXSID40142998N-(3-Nitrophenyl)-3-(phosphonooxy)-2-naphthalenecarboxamideRefChem:826710DTXCID5065489233-014-2NAPHTHOL AS-BS PHOSPHATE[3-[(3-nitrophenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate3-[(3-nitrophenyl)carbamoyl]naphthalen-2-yl dihydrogen phosphateNaphthol as-bs-phosphate
Show more names
NAPHTHOL AS-BS-PHOSPHATE FOR &2-Naphthalenecarboxamide, N-(3-nitrophenyl)-3-(phosphonooxy)-
JELNBKZALJBEFQ-UHFFFAOYSA-NV5LV5Y4XP9SCHEMBL11979381SCHEMBL31702650STL301823AKOS015913299NS00022950ST51016112
Database identifiers
- CAS
10019-03-1- PubChem CID
- 82295
- DTXSID
DTXSID40142998- UNII
- V5LV5Y4XP9
- EC Number
- 233-014-2
- Nikkaji
- J241.219E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 605
Physicochemical properties
- Density
- 1.611 · 1.611±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.03 · 1.03±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
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 39 reports by companies from 2 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
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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Related reactions
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Compound notes
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