Basic information
- CAS
1619-37-0- Standard SMILES
OCc1cc(-c2ccccc2)on1- InChIKey
BPAFLGGUEBMWRN-UHFFFAOYSA-N- Molecular formula
- C10H9NO2
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.06332853
Overview
(5-Phenylisoxazol-3-yl)methanol is a member of benzenes.
Names & identifiers
- Preferred name
- (5-Phenyl-1,2-oxazol-3-yl)methanol
- IUPAC
- (5-phenyl-1,2-oxazol-3-yl)methanol
- English name
- (5-PHENYLISOXAZOL-3-YL)METHANOL
- Molecular formula
- C10H9NO2
- Molecular weight
- 175.18
Names & synonyms
(5-phenyl-1,2-oxazol-3-yl)methanolRefChem:404170825-447-6(5-Phenylisoxazol-3-yl)methanol1619-37-0(5-phenyl-3-isoxazolyl)methanol3-Isoxazolemethanol, 5-phenyl-MFCD01444104SCHEMBL1544128CHEMBL47410083-Hydroxymethyl-5-phenylisoxazole5-phenyl-3-hydroxymethylisoxazole
Show more names
AKOS PAO-1437SALOR-INT L482692-1EA(5-Phenylisoxazol-3-yl)methano(5-PHENYL ISOXAZOLE-3-YL)METHANOLJR-2618, (5-Phenylisoxazol-3-yl)methanol, 97%
HMS1365G15BDBM50554499CCG-3099306N-643SP2386EN300-111414F2135-0532(5-phenylisoxazol-3-yl)methan-1-ol
Database identifiers
- CAS
1619-37-0- PubChem CID
- 1481082
- DTXSID
DTXSID70363215- ChEMBL
CHEMBL4741008- ChEBI
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Melting point
- 98 · 98-100°
- Boiling point
- 362.8 · 362.8±27.0 °C(Predicted)
- Density
- 1.211 · 1.211
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 13.04 · 13.04±0.10(Predicted)
- color
- White to Almost white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312+P330-P501
- HazardClass
- IRRITANT
- HS Code
- 2934999090 · 2934999090
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 (50%): 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 (50%)
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312+P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers48 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
山东龙辰药业有限公司15964061209 15964061209 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
Related reactions
16 records
Compound notes
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