Basic information
- CAS
1516-58-1- Standard SMILES
[N-]=[N+]=Nc1ccccc1[N+](=O)[O-]- InChIKey
QJGDGUBLGKFNDB-UHFFFAOYSA-N- Molecular formula
- C6H4N4O2
- Average molar mass
- 164.12 g/mol
- Monoisotopic mass
- 164.03342538
Names & identifiers
- Preferred name
- 2-Nitrophenyl azide
- IUPAC
- 1-azido-2-nitrobenzene
- English name
- 2-nitrophenyl azide
- Molecular weight
- 0
Names & synonyms
2-Nitrophenyl azide1516-58-1o-Nitrophenyl azideT6K5UT9CRNNSC-19923DTXSID40164812RefChem:88736DTXCID60873031-azido-2-nitrobenzeneBENZENE, 1-AZIDO-2-NITRO-1-azido-2-nitro-benzenenitrophenyl azide
Show more names
1-Nitro-2-azidobenzene1-Azido-2-nitrobenzene - [A95118]4-propyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline hydrochloride
NSC 19923UNII-T6K5UT9CRNSCHEMBL15190528SCHEMBL15190529SCHEMBL16329327SCHEMBL29356198QJGDGUBLGKFNDB-UHFFFAOYSA-NNSC19923
Database identifiers
- CAS
1516-58-1- PubChem CID
- 73693
- DTXSID
DTXSID40164812- UNII
- T6K5UT9CRN
- EC Number
- 992-295-6
- Nikkaji
- J113.337C
Properties
Computed structural properties
- XLogP
- 2.7
- 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
- 218
Physicochemical properties
- Melting point
- 52 · 52-55 °C
- FDA UNII
- 6 K5UT9CRN · T6K5UT9CRN
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
吉林中科研伸科技有限公司18143011203 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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