Basic information
- CAS
63921-08-4- Standard SMILES
O=[N+]([O-])c1ccc(Cl)c2c([N+](=O)[O-])cccc12- InChIKey
KCMPORJIBRHUHC-UHFFFAOYSA-N- Molecular formula
- C10H5ClN2O4
- Average molar mass
- 252.61 g/mol
- Monoisotopic mass
- 251.9937843
Names & identifiers
- Preferred name
- 4-Chloro-1,5-dinitronaphthalene
- IUPAC
- 4-chloro-1,5-dinitronaphthalene
- English name
- 4-Chloro-1,5-dinitronaphthalene
- Molecular formula
- C10H5ClN2O4
- Molecular weight
- 252.61
Names & synonyms
4-Chloro-1,5-dinitronaphthalene63921-08-4DTXSID90303870RefChem:520725DTXCID90255002636-345-4NSC 163133Naphthalene, 4-chloro-1,5-dinitro-NSC163133SCHEMBL4871313CHEMBL19651011-chloro-4,8-dinitronaphthalene
Show more names
4-chloro-1,5-dinitro-naphthalene4-Chloro-1,5-dinitronaphthalene #AKOS024319059NSC-163133NCI60_001228
Database identifiers
- CAS
63921-08-4- PubChem CID
- 294516
- DTXSID
DTXSID90303870- ChEMBL
CHEMBL1965101- EC Number
- 636-345-4
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Melting point
- 138 °C · 138 °C
- Boiling point
- 417.2 · 417.2±35.0 °C(Predicted)
- Density
- 1.586 · 1.586±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
- HS Code
- 2921450090 · 2921450090
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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
- hs_code
- 2921450090
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers3 total
Related reactions
1 records
Compound notes
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