Basic information
- CAS
5683-43-2- Standard SMILES
Cc1nc2ccc([N+](=O)[O-])cc2o1- InChIKey
DPVZLXWUFYMLBK-UHFFFAOYSA-N- Molecular formula
- C8H6N2O3
- Average molar mass
- 178.14 g/mol
- Monoisotopic mass
- 178.03784206
Names & identifiers
- Preferred name
- 2-Methyl-6-nitrobenzoxazole
- IUPAC
- 2-methyl-6-nitro-1,3-benzoxazole
- English name
- 2-Methyl-6-nitrobenzoxazole
- Molecular formula
- C8H6N2O3
- Molecular weight
- 178.14
Names & synonyms
2-Methyl-6-nitrobenzoxazole5683-43-2EINECS 227-149-6DTXSID30205369RefChem:475816DTXCID80127860227-149-62-methyl-6-nitro-1,3-benzoxazoleMFCD00022848benzoxazole, 2-methyl-6-nitro-2-methyl-6-nitro-benzoxazole2-methyl-6-nitrobenzo[d]oxazole
Show more names
Oprea1_395144SCHEMBL2062399SCHEMBL9320505ALBB-014681SBB059264STL377262AKOS002303444PB43079
Database identifiers
- CAS
5683-43-2- PubChem CID
- 79766
- DTXSID
DTXSID30205369- EC Number
- 227-149-6
- Nikkaji
- J24.448A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Melting point
- 157 · 157-158°C
- Boiling point
- 303.1 · 303.1±15.0 °C(Predicted)
- Density
- 1.395 · 1.395±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -1.45 · -1.45±0.30(Predicted)
- Appearance
- Off-white to light yellow Solid
- Water Solubility
- Soluble in oils. Insoluble in water.
- CAS DataBase Reference
- 5683 · 5683-43-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HazardClass
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
H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (90.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 (90.7%)；Eye Dam. 1 (90.7%)
Safety data
- hs_code
- 2934999090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses2-Methyl-6-nitrobenzoxazole is used as a flavoring agents.
Upstream & downstream products
Upstream raw materials
Suppliers70 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
南京楷煜医药科技有限公司025-86160631; 18913801556 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Related reactions
11 records
Compound notes
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