Basic information
- CAS
3672-48-8- Standard SMILES
COc1ccc(-c2ccno2)cc1- InChIKey
KKDKBSQRNCPFCM-UHFFFAOYSA-N- Molecular formula
- C10H9NO2
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.06332853
Names & identifiers
- Preferred name
- 5-(4-Methoxyphenyl)isoxazole
- IUPAC
- 5-(4-methoxyphenyl)-1,2-oxazole
- English name
- 5-(4-Methoxyphenyl)isoxazole
- Molecular formula
- C10H9NO2
- Molecular weight
- 175.18
Names & synonyms
5-(4-Methoxyphenyl)isoxazole3672-48-8DTXSID70371577RefChem:300030DTXCID803226115-(4-methoxyphenyl)-1,2-oxazoleMFCD02183545Isoxazole, 5-(4-methoxyphenyl)-BUTTPARK 32\03-401729AESCHEMBL578300CHEMBL347302
Show more names
SCHEMBL2090452SCHEMBL2090455SCHEMBL74557221-isoxazol-5-yl-4-methoxybenzeneSBB089020AKOS006230412AB115095-(4-methoxyphenyl)isoxazole, AldrichCPR
Database identifiers
- CAS
3672-48-8- PubChem CID
- 2736756
- DTXSID
DTXSID70371577- ChEMBL
CHEMBL347302- EC Number
- 109-068-7
- Nikkaji
- J2.606.450C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- form
- solid
- InChI
- 1S/C10H9NO2/c1-12-9-4-2-8(3-5-9)10-6-7-11-13-10/h2-7H,1H3
- InChIKey
- KKDKBSQRNCPFCM-UHFFFAOYSA-N
- SMILES
- COc1ccc(cc1)-c2ccno2
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · WGK 3
- Hazard Note
- Irritant
- HS Code
- 2934999090 · 2934999090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
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]
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
- wgk
- WGK 3
- hs_code
- 2934999090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers16 total
河北凡博医药科技有限公司15588346797 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
西安凯翔医药科技有限公司029-86538357
上海先诺生物科技有限公司021-50718719 13918719472
凯试（上海）科技有限公司021-50135380 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
济宁一泽医药科技有限公司15192473210 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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