Basic information
- CAS
7507-88-2- Standard SMILES
CC(=O)c1cc(C)cc(Cl)c1O- InChIKey
XJSBYHFWKLPSOT-UHFFFAOYSA-N- Molecular formula
- C9H9ClO2
- Average molar mass
- 184.62 g/mol
- Monoisotopic mass
- 184.0291072
Names & identifiers
- Preferred name
- 1-(3-Chloro-2-hydroxy-5-methylphenyl)ethan-1-one
- IUPAC
- 1-(3-chloro-2-hydroxy-5-methylphenyl)ethanone
- English name
- 1-(3-Chloro-2-hydroxy-5-methylphenyl)ethanone
- Molecular formula
- C9H9ClO2
- Molecular weight
- 184.62
Names & synonyms
1-(3-Chloro-2-hydroxy-5-methylphenyl)ethan-1-one7507-88-21-(3-chloro-2-hydroxy-5-methylphenyl)ethanoneNSC401441SCHEMBL11712068DTXSID30322505HAA50788MFCD24714040AKOS023626608NSC-401441CS-0144566E85617
Show more names
EN300-7194011-(3-chloro-2-hydroxy-5-methyl-phenyl)ethanoneF622099Ethanone, 1-(3-chloro-2-hydroxy-5-methylphenyl)-Z1513808674
Database identifiers
- CAS
7507-88-2- PubChem CID
- 344482
- DTXSID
DTXSID30322505- Nikkaji
- J1.137.136A
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 91 °C · 91°C
- storage temp.
- RT, stored under nitrogen
- Appearance
- White to light yellow Solid
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Preparation methods
PreparationPreparation by Fries rearrangement of 2-chloro-4- methyl-phenyl acetate with aluminium chloride without solvent at 120° (quantitative yield).
Suppliers11 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
苏州亚衍医药科技有限公司17715136450 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
徐州睿诚致合生物医药技术有限公司15195955353 · [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]
济南光尘医药科技有限公司18563726319 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
郓城恒立生物科技有限公司15552097599 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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