Basic information
- CAS
1516-60-5- Standard SMILES
[N-]=[N+]=Nc1ccc([N+](=O)[O-])cc1- InChIKey
CZZVSJPFJBUBDK-UHFFFAOYSA-N- Molecular formula
- C6H4N4O2
- Average molar mass
- 164.12 g/mol
- Monoisotopic mass
- 164.03342538
Names & identifiers
- Preferred name
- 1-Azido-4-nitrobenzene
- IUPAC
- 1-azido-4-nitrobenzene
- English name
- diazonio-(4-nitrophenyl)azanide
- Molecular formula
- C6H4N4O2
- Molecular weight
- 0
Names & synonyms
1-Azido-4-nitrobenzeneBenzene, 1-azido-4-nitro-4-Nitrophenyl azidep-Azidonitrobenzenep-Nitrophenyl azide1-Azido-4-nitrobenzenDTXSID60164814NSC 118406RefChem:74931DTXCID6087305841-636-6CZZVSJPFJBUBDK-UHFFFAOYSA-N
Show more names
(4-Nitrophenyl) azide1-Nitro-4-azidobenzene1-Azido-4-nitrobenzene - [A95113]1-Azido-4-nitrobenzene 0.1M in MeTHF 100mg = 6.25mL solution
1516-60-5diazonio-(4-nitrophenyl)azanide1-azido-4-nitro-benzeneNSC-1184061-(4-nitrophenyl)triaz-2-yn-2-ium-1-ide4-azidonitrobenzene1-Nitro-4-triazobenzeneCHEMBL3236181
Database identifiers
- CAS
1516-60-5- PubChem CID
- 137049
- DTXSID
DTXSID60164814- ChEMBL
CHEMBL3236181- UNII
- R75KSA9389
- EC Number
- 841-636-6
- Nikkaji
- J110.056D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Melting point
- 71 °C · 71 °C
- Boiling point
- 291.56 °C · 291.56°C (rough estimate)
- Density
- 1.5129 · 1.5129 (rough estimate)
- refractive index
- 1.69 · 1.6900 (estimate)
- Flash point
- -10 ° · -10°
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H302
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
- RIDADR
- 2924 · UN2924
- HazardClass
- 3 · 3, 8
- Limited Quantities
- 1 L · 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
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]
P261, P264, P270, P271, P301+P317, P304+P340, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 CategoriesAcute Tox. 4 (100%)
Safety data
- ridadr
- UN2924
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 3, 8
- Hazard statements
- H332-H302
- Limited Quantities
- 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
吉林中科研伸科技有限公司18143011203 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
武汉山海志合生物科技有限公司17771424646 · [email protected]
Related reactions
12 records
Compound notes
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