5-Methoxy-2-methylbenzoxazole
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Basic information
- CAS
5676-57-3- Standard SMILES
COc1ccc2oc(C)nc2c1- InChIKey
WCXSVOWHNXWHRT-UHFFFAOYSA-N- Molecular formula
- C9H9NO2
- Average molar mass
- 163.17 g/mol
- Monoisotopic mass
- 163.06332853
Names & identifiers
- Preferred name
- 5-Methoxy-2-methylbenzoxazole
- IUPAC
- 5-methoxy-2-methyl-1,3-benzoxazole
- English name
- 5-Methoxy-2-methylbenzodoxazole
- Molecular formula
- C9H9NO2
- Molecular weight
- 163.17
Names & synonyms
5-Methoxy-2-methylbenzoxazole5676-57-3EINECS 227-134-4DTXSID40205315RefChem:103029DTXCID40127806227-134-45-methoxy-2-methyl-1,3-benzoxazole5-methoxy-2-methylbenzo[d]oxazoleMFCD001288315-methoxy-2-methyl-benzoxazoleSCHEMBL5228689
Show more names
5-Methoxy-2-methyl-benzooxazole5-Methoxy-2-methylbenzodoxazoleBenzoxazole, 5-methoxy-2-methyl-
5-methyoxy-2-methyl-benzoxazoleSCHEMBL25288200SCHEMBL29447082AC6374AKOS006273003AS-8316AC-16640SY130011
Database identifiers
- CAS
5676-57-3- PubChem CID
- 79759
- DTXSID
DTXSID40205315- EC Number
- 227-134-4
- Nikkaji
- J24.449J
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 32 · 32-34℃ (ethyl ether hexane )
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 318 · H318-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P301+P312-P362+P364
- 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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 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
- hs_code
- 2934999090
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H318-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P301+P312-P362+P364
Related reactions
4 records
Compound notes
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