Basic information
- CAS
23028-23-1- Standard SMILES
Cc1c(-c2ccccc2)c(=O)oc2ccccc12- InChIKey
LQPDCTIPWIJXCR-UHFFFAOYSA-N- Molecular formula
- C16H12O2
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.08372962
Names & identifiers
- Preferred name
- 4-Methyl-3-phenylcoumarin
- IUPAC
- 4-methyl-3-phenylchromen-2-one
- English name
- 4-Methyl-3-phenylcoumarin
- Molecular formula
- C16H12O2
- Molecular weight
- 236.27
Names & synonyms
4-Methyl-3-phenylcoumarin23028-23-14-methyl-3-phenylchromen-2-oneDTXSID60333003RefChem:99785DTXCID50284095636-601-54-Methyl-3-phenyl-2H-chromen-2-oneMFCD001923134-Methyl-3-phenyl coumarin4-methyl-3-phenyl-chromen-2-one2H-1-Benzopyran-2-one, 4-methyl-3-phenyl-
Show more names
4-methyl-3-phenylMETHYL-3-PHENYLCOUMARIN,4-4-METHYL-3-PHENYLCOUMARIN 98%METHYL-3-PHENYLCOUMARIN,4-(RG)
4-Methyl-3-phenyl-2H-1-benzopyran-2-one4-methyl-3-phenyl-coumarinorb2940908SCHEMBL3400662SCHEMBL4449250LQPDCTIPWIJXCR-UHFFFAOYSA-NTXB-00210AKOS015916352
Database identifiers
- CAS
23028-23-1- PubChem CID
- 477709
- DTXSID
DTXSID60333003- EC Number
- 636-601-5
- Nikkaji
- J930.667F
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Melting point
- 156 · 156-158 °C(lit.)
- Boiling point
- 408.7 · 408.7±24.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H332-H312
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 36 · 36
- WGK Germany
- 3 · 3
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 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 (97.4%)
Safety data
- wgk
- 3
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36
- Hazard statements
- H302-H332-H312
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Chemistry & industry
Applications
Uses4-Methyl-3-phenylcoumarin is a biochemical reagent.
Suppliers11 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
上海旭晗化学科技有限公司15921303235 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
Aladdin Scientific[email protected]
上海同田生物技术有限公司021-51320588 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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