Basic information
- CAS
1930-71-8- Standard SMILES
N#Cc1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1Cl- InChIKey
XBOQCIVRIFOJCP-UHFFFAOYSA-N- Molecular formula
- C7HCl2N3O4
- Average molar mass
- 262 g/mol
- Monoisotopic mass
- 260.9344109
Names & identifiers
- Preferred name
- 2,4-Dichloro-3,5-dinitrobenzonitrile
- IUPAC
- 2,4-dichloro-3,5-dinitrobenzonitrile
- English name
- 2 4-DICHLORO-3 5-DINITROBENZONITRILE
- Molecular formula
- C7HCl2N3O4
- Molecular weight
- 262.01
Names & synonyms
2,4-Dichloro-3,5-dinitrobenzonitrileRefChem:443264654-706-41930-71-8Benzonitrile, 2,4-dichloro-3,5-dinitro-NSC-163312NSC163312NSC 1633122 4-DICHLORO-3 5-DINITROBENZONITRILEP8Q7BE52RHSCHEMBL11571620DTXSID10172904
Show more names
XBOQCIVRIFOJCP-UHFFFAOYSA-NAKOS024332243Benzonitrile,4-dichloro-3,5-dinitro-2,4-dichloro-3,5-dinitro-benzenecarbonitrile
Database identifiers
- CAS
1930-71-8- PubChem CID
- 98751
- DTXSID
DTXSID10172904- UNII
- P8Q7BE52RH
- EC Number
- 654-706-4
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 357
Physicochemical properties
- Melting point
- 141 °C · 141 °C
- Boiling point
- 361.6 · 361.6±42.0 °C(Predicted)
- Density
- 1.79 · 1.79±0.1 g/cm3(Predicted)
- FDA UNII
- 8 Q7BE52RH · P8Q7BE52RH
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers3 total
Related reactions
5 records
Compound notes
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