Basic information
- CAS
6623-66-1- Standard SMILES
O=c1oc2ccc([N+](=O)[O-])cc2c2ccccc12- InChIKey
NSXRBWUONVTXSK-UHFFFAOYSA-N- Molecular formula
- C13H7NO4
- Average molar mass
- 241.2 g/mol
- Monoisotopic mass
- 241.0375077
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-nitro-6H-dibenzo(b,d)pyran-6-one
- IUPAC
- 2-nitrobenzo[c]chromen-6-one
- English name
- 6-Nitro-3,4-benzocoumarin
- Molecular formula
- C13H7NO4
- Molecular weight
- 241.2
Names & synonyms
2-Nitro-6H-dibenzo[b,d]pyran-6-one6623-66-12-Nitro-6H-dibenzo(b,d)pyran-6-one2-NDBPDTXSID60984736RefChem:88690DTXCID6014119432-nitrobenzo[c]chromen-6-one6-Nitro-3,4-benzocoumarin2-Biphenylcarboxylic acid, 2'-hydroxy-5'-nitro-, delta-lactoneNSC-555436H-Dibenzo(b,d)pyran-6-one, 2-nitro-
Show more names
2-NITRODIBENZOPYRANONEd)pyran-6-one,2-nitro-6h-dibenzo(2’-hydroxy-5’-nitro-2-biphenylcarboxylicacidelta-lactone
CCRIS 77136H-Dibenzo[b,d]pyran-6-one, 2-nitro-C96S3L7QJNSCHEMBL3366419NSXRBWUONVTXSK-UHFFFAOYSA-NNSC55543NSC 55543AKOS024370829
Database identifiers
- CAS
6623-66-1- PubChem CID
- 96137
- DTXSID
DTXSID60984736- UNII
- C96S3L7QJN
- EC Number
- 633-163-7
- Nikkaji
- J451.769E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 364
Physicochemical properties
- Melting point
- 259 · 259-261 °C (dec.)(lit.)
- Boiling point
- 383.97 °C · 383.97°C (rough estimate)
- Density
- 1.3304 · 1.3304 (rough estimate)
- refractive index
- 1.48 · 1.4800 (estimate)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-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 · 26-37/39
- WGK Germany
- 3 · 3
- RTECS
- 8757550 · HP8757550
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
- wgk
- 3
- rtecs
- HP8757550
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
SIGMA—
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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