5-Nitro-1,3-benzoxazol-2-amine
Basic information
- CAS
64037-16-7- Standard SMILES
Nc1nc2cc([N+](=O)[O-])ccc2o1- InChIKey
QHVCONQZXJPGQZ-UHFFFAOYSA-N- Molecular formula
- C7H5N3O3
- Average molar mass
- 179.13 g/mol
- Monoisotopic mass
- 179.03309103
Names & identifiers
- Preferred name
- 5-Nitro-1,3-benzoxazol-2-amine
- IUPAC
- 5-nitro-1,3-benzoxazol-2-amine
- English name
- 5-Nitrobenzoxazole-2-amine
- Molecular formula
- C7H5N3O3
- Molecular weight
- 179.13
Names & synonyms
5-nitro-1,3-benzoxazol-2-amineRefChem:537370999-736-164037-16-75-nitrobenzo[d]oxazol-2-amine5-Nitrobenzoxazole-2-amine2-Amino-5-nitrobenzoxazole2-Benzoxazolamine, 5-nitro-BENZOXAZOLE, 2-AMINO-5-NITRO-5-Nitro-2-benzoxazolamineMFCD01664146DTXSID90214038
Show more names
5-nitro-benzooxazol-2-ylamine2-Amino-5-nitro-1,3-benzoxazole5-Nitro-1,3-benzoxazol-2-amine, 2-Amino-5-nitrobenzo[d]oxazole
AKOS016005101AS-58739CS-01266125-nitro-2-imino-2,3-dihydro-1,3-benzoxazoleAB00996811-01Z351255138NSC24966SCHEMBL10173106
Database identifiers
- CAS
64037-16-7- PubChem CID
- 46389
- DTXSID
DTXSID90214038- EC Number
- 999-736-1
- Nikkaji
- J67.898H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Melting point
- 288 °C · 288 °C(Solv: ethanol (64-17-5))
- Boiling point
- 387.6 · 387.6±34.0 °C(Predicted)
- Density
- 1.575 · 1.575±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- -3.44 · -3.44±0.10(Predicted)
- Appearance
- Light yellow to green yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2934999090 · 2934999090
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, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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. 4 (100%)
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…