Basic information
- CAS
72418-40-7- Standard SMILES
O=Cc1cc(-c2ccccc2)no1- InChIKey
SZXMDUKWIYIKKS-UHFFFAOYSA-N- Molecular formula
- C10H7NO2
- Average molar mass
- 173.17 g/mol
- Monoisotopic mass
- 173.04767846
Names & identifiers
- Preferred name
- 3-Phenyl-1,2-oxazole-5-carbaldehyde
- IUPAC
- 3-phenyl-1,2-oxazole-5-carbaldehyde
- English name
- 3-Phenylisoxazole-5-carboxaldehyde 97%
- Molecular formula
- C10H7NO2
- Molecular weight
- 173.17
Names & synonyms
3-phenyl-1,2-oxazole-5-carbaldehydeRefChem:504807687-036-63-PHENYLISOXAZOLE-5-CARBALDEHYDE72418-40-73-Phenylisoxazole-5-carboxaldehydeMFCD098175433-phenyl-5-isoxazolecarbaldehyde3-Phenylisoxazole-5-aldehyde3-phenyl-isoxazole-5-aldehydeSCHEMBL1312698SCHEMBL6452695
Show more names
3-Phenyl isoxazole-5-carbaxaldehyde3-Phenylisoxazole-5-carboxaldehyde97%3-Phenylisoxazole-5-carboxaldehyde 97%3-Phenylisoxazole-5-carboxaldehyde 97%3-phenyl-5-isoxazolecarbaldehyde(SALTDATA: FREE)
SCHEMBL20448731DTXSID60463657SZXMDUKWIYIKKS-UHFFFAOYSA-N3-phenyl-5-isoxazolecarboxaldehydeSBB073328STL4148335-Isoxazolecarboxaldehyde, 3-phenyl-AKOS005169220
Database identifiers
- CAS
72418-40-7- PubChem CID
- 11367267
- DTXSID
DTXSID60463657- EC Number
- 687-036-6
- Nikkaji
- J1.528.033F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Melting point
- 72.5 · 72.5-74°C
- storage temp.
- 2 · 2-8°C
- form
- crystals
- color
- Pale yellow
- InChI
- 1S/C10H7NO2/c12-7-9-6-10(11-13-9)8-4-2-1-3-5-8/h1-7H
- InChIKey
- SZXMDUKWIYIKKS-UHFFFAOYSA-N
- SMILES
- O=Cc1cc(no1)-c2ccccc2
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
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)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- hs_code
- 2934999090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers28 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [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]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
19 records
Compound notes
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