3-Nitro-3H-1,5-benzodiazepine
Basic information
- CAS
65466-29-7- Standard SMILES
O=[N+]([O-])C1C=Nc2ccccc2N=C1- InChIKey
SGIGOTZNQITOJU-UHFFFAOYSA-N- Molecular formula
- C9H7N3O2
- Average molar mass
- 189.17 g/mol
- Monoisotopic mass
- 189.05382648
Names & identifiers
- Preferred name
- 3-Nitro-3H-1,5-benzodiazepine
- IUPAC
- 3-nitro-3H-1,5-benzodiazepine
- English name
- 3-Nitro-3H-1,5-benzodiazepine
- Molecular formula
- C9H7N3O2
- Molecular weight
- 189.17
Names & synonyms
3-nitro-3h-1,5-benzodiazepineRefChem:504421654-494-365466-29-73-(Hydroxy(oxido)amino)-3H-1,5-benzodiazepineCHC2G2ZD56NSC89283NSC 89283UNII-CHC2G2ZD563-nitro-1H-1,5-benzodiazepineNSC-89283113951-88-5
Show more names
3-NITROBENZODIAZEPINE3-NITRO-3H-1,5-BENZODIAZEPINE 97%
DTXSID502157883H-1,5-Benzodiazepine, 3-nitro-3-nitro-3H-benzo[b]1,4-diazepineAKOS024332419ST50545746
Database identifiers
- CAS
65466-29-7- PubChem CID
- 259378
- DTXSID
DTXSID50215788- UNII
- CHC2G2ZD56
- EC Number
- 654-494-3
- Nikkaji
- J267.400I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Melting point
- 360 °C · >360°C
- Boiling point
- 432.261 · 432.261±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.399 · 1.399±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.599 · 2.599±0.20(predicted)
- FDA UNII
- 2 G2ZD56 · CHC2G2ZD56
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P302+P352-P305+P351+P338-P321-P405-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
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]
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)
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 CategoriesAcute Tox. 3 (100%)
Safety data
- risk_code
- 36/37/38
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P302+P352-P305+P351+P338-P321-P405-P501a
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…