Basic information
- CAS
64037-14-5- Standard SMILES
COc1ccc2oc(N)nc2c1- InChIKey
YCBIFQTZAQVLTQ-UHFFFAOYSA-N- Molecular formula
- C8H8N2O2
- Average molar mass
- 164.16 g/mol
- Monoisotopic mass
- 164.0585775
Names & identifiers
- Preferred name
- 5-Methoxy-1,3-benzoxazol-2-amine
- IUPAC
- 5-methoxy-1,3-benzoxazol-2-amine
- English name
- 5-Methoxy-2-benzoxazolamine
- Molecular formula
- C8H8N2O2
- Molecular weight
- 164.16
Names & synonyms
5-methoxy-1,3-benzoxazol-2-amineRefChem:536561821-529-064037-14-55-methoxybenzo[d]oxazol-2-amine2-Amino-5-methoxybenzoxazole5-Methoxy-2-benzoxazolamine2-Benzoxazolamine, 5-methoxy-BENZOXAZOLE, 2-AMINO-5-METHOXY-MFCD01664144MLS002639032NSC24993
Show more names
CHEMBL1865773SCHEMBL10987102SCHEMBL31119218DTXSID70214036HMS3093P03PCA03714AC6530NSC 24993
Database identifiers
- CAS
64037-14-5- PubChem CID
- 46387
- DTXSID
DTXSID70214036- ChEMBL
CHEMBL1865773- EC Number
- 821-529-0
- Nikkaji
- J67.896A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 61.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 291.62 °C · 291.62°C (rough estimate)
- Density
- 1.2739 · 1.2739 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 5.12 · 5.12±0.10(Predicted)
- Appearance
- Brown to reddish brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H302-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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, 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 2 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. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H302-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers14 total
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
重庆卡兰医药有限公司[email protected]
都创（上海）医药科技股份有限公司021-58099077-8041 18601625411 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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