Basic information
- CAS
19420-41-8- Standard SMILES
C#CCn1c(=O)oc2ccccc21- InChIKey
BMKFKTFCOJPUGR-UHFFFAOYSA-N- Molecular formula
- C10H7NO2
- Average molar mass
- 173.17 g/mol
- Monoisotopic mass
- 173.04767846
Names & identifiers
- Preferred name
- 2-Benzoxazolinone, 3-(2-propynyl)-
- IUPAC
- 3-prop-2-ynyl-1,3-benzoxazol-2-one
- English name
- 3-(2-Propynyl)benzoxazol-2(3H)-one
- Molecular weight
- 0
Names & synonyms
19420-41-82-BENZOXAZOLINONE, 3-(2-PROPYNYL)-BRN 12124833-(2-Propynyl)-2-benzoxazolinoneDTXSID00173041RefChem:256413DTXCID60955323-prop-2-ynylbenzooxazol-2-one3-(prop-2-yn-1-yl)benzo[d]oxazol-2(3H)-one3-prop-2-ynyl-1,3-benzoxazol-2-one3-(2-Propynyl)benzoxazol-2(3H)-oneSCHEMBL3027838
Show more names
3-PROP-2-YNYL-3H-BENZOOXAZOL-2-ONE
AKOS0089508313-(2-Propyn-1-yl)-2(3h)-benzoxazoloneDB-2036493-(2-propynyl)-1,3-benzoxazol-2(3H)-one3-(Prop-2-yn-1-yl)-1,3-benzoxazol-2(3H)-one
Database identifiers
- CAS
19420-41-8- PubChem CID
- 29584
- DTXSID
DTXSID00173041- EC Number
- 152-927-6
- Nikkaji
- J65.958D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
2 records
Compound notes
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