Basic information
- CAS
159015-06-2- Standard SMILES
Cc1ncoc1C=O- InChIKey
ANPKYBKHXNFMFD-UHFFFAOYSA-N- Molecular formula
- C5H5NO2
- Average molar mass
- 111.1 g/mol
- Monoisotopic mass
- 111.0320284
Names & identifiers
- Preferred name
- 4-Methyl-1,3-oxazole-5-carbaldehyde
- IUPAC
- 4-methyl-1,3-oxazole-5-carbaldehyde
- English name
- 4-Methyloxazole-5-carbaldehyde
- Molecular formula
- C5H5NO2
- Molecular weight
- 111.1
Names & synonyms
4-Methyl-1,3-oxazole-5-carbaldehyde159015-06-2DTXSID50565432RefChem:524888DTXCID10516208826-442-14-methyloxazole-5-carbaldehyde4-Methyl-oxazole-5-carbaldehydeMFCD107002484-methyl-5-oxazolecarbaldehyde5-Oxazolecarboxaldehyde, 4-methyl-SCHEMBL2518775
Show more names
SCHEMBL25187774-Methyl -5-oxazolecarbaldehyde4-Methyl-5-oxazolecarboxaldehydeANPKYBKHXNFMFD-UHFFFAOYSA-NSBB052298AKOS006302304AT18679SB33970
Database identifiers
- CAS
159015-06-2- PubChem CID
- 14920523
- DTXSID
DTXSID50565432- EC Number
- 826-442-1
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 94.4
Physicochemical properties
- Boiling point
- 188 · 188.0±20.0 °C(Predicted)
- Density
- 1.189 · 1.189±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -0.78 · -0.78±0.14(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers16 total
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海安米克化学品有限公司微信：17321281695 18019252918
上海旺珐化工科技有限公司（安徽珐诺伊医药科技有限公司）13918479294 · [email protected]
南京宁凡医药科技有限公司17368696818
上海索本生物科技有限公司15088289376;13917786310 · [email protected]
上海智乾生物科技有限公司[email protected]
上海普黎康化工科技有限公司021-54321516 17717324060 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海松帆医药科技有限公司17321241880 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
Related reactions
13 records
Compound notes
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