Basic information
- CAS
135679-95-7- Standard SMILES
Cc1ccc(C(N)=O)cc1O- InChIKey
VMZTVTOXQLYTSO-UHFFFAOYSA-N- Molecular formula
- C8H9NO2
- Average molar mass
- 151.16 g/mol
- Monoisotopic mass
- 151.06332853
Names & identifiers
- Preferred name
- 3-Hydroxy-4-methylbenzamide
- IUPAC
- 3-hydroxy-4-methylbenzamide
- English name
- Benzamide, 3-hydroxy-4-methyl- (9CI)
- Molecular formula
- C8H9NO2
- Molecular weight
- 151.16
Names & synonyms
3-hydroxy-4-methylbenzamide135679-95-7BENZAMIDE, 3-HYDROXY-4-METHYL-Benzamide, 3-hydroxy-4-methyl- (9CI)NSC604564SCHEMBL1805869SCHEMBL1805871DTXSID90326620KFA67995AKOS000207074AB63532NSC-604564
Show more names
DB-273692EN300-69321G20792Z323032498
Database identifiers
- CAS
135679-95-7- PubChem CID
- 354089
- DTXSID
DTXSID90326620- EC Number
- 877-208-0
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Boiling point
- 289.5 · 289.5±33.0 °C(Predicted)
- Density
- 1.23 · 1.230±0.06 g/cm3(Predicted)
- pka
- 9.61 · 9.61±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- 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
H302 (100%): 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)
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses3-hydroxy-4-methylbenzamide (cas# 135679-95-7) is a useful research chemical. It is used in isoquinolinediones as inhibitors of cyclin-dependent kinase 4.
Suppliers8 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海巍涛化工有限公司02150630626 17717886015 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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