Basic information
- CAS
4463-02-9- Standard SMILES
Cc1c(O)cc(O)c(C)c1O- InChIKey
XIRABDOOVRWLFU-UHFFFAOYSA-N- Molecular formula
- C8H10O3
- Average molar mass
- 154.16 g/mol
- Monoisotopic mass
- 154.06299418
Names & identifiers
- Preferred name
- 2,4-Dimethyl-1,3,5-benzenetriol
- IUPAC
- 2,4-dimethylbenzene-1,3,5-triol
- English name
- 2,4,6-Trihydroxy-1,3-dimethyl benzene
- Molecular formula
- C8H10O3
- Molecular weight
- 154.16
Names & synonyms
4463-02-92,4-Dimethylphloroglucinol2,4-Dimethyl-1,3,5-benzenetriolD3RH5B6TWZDTXSID20196257RefChem:1059755DTXCID30118748224-725-92,4-dimethylbenzene-1,3,5-triolm-xylene-2,4,6-triol2,4,6-TRIHYDROXY-1,3-DIMETHYL BENZENE2,4,6-Trihydroxy-1,3-dimethylbenzene
Show more names
2,4,6-Trihydroxy-1,3-dimethyl benzene hydrochloride
2,4,6-Trihydroxy-m-xyleneDimethylphloroglucinEINECS 224-725-9SCHEMBL3195155MFCD000173012,4,6-TRIHYDROXY-3-XYLENEAKOS0062810471,3,5-Benzenetriol, 2,4-dimethyl-
Database identifiers
- CAS
4463-02-9- PubChem CID
- 78214
- DTXSID
DTXSID20196257- UNII
- D3RH5B6TWZ
- EC Number
- 224-725-9
- Nikkaji
- J11.019A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 123
Physicochemical properties
- FDA UNII
- 3 RH5B6TWZ · D3RH5B6TWZ
Chemistry & industry
Applications
Usesm-Xylene-2,4,6-triol is a reagent used to synthesize a series of flavanone derivatives that show anti-tumor activities.
Upstream & downstream products
Upstream raw materials
Suppliers16 total
陕西科贝莱药物研发有限公司13119135307 · [email protected]
云南苏理生物医药科技有限公司0871-68355600 18787766125
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]
Related reactions
1 records
Compound notes
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