Basic information
- CAS
608-98-0- Standard SMILES
Cc1cc(C)c(O)c(C)c1O- InChIKey
WSKJIXLOKYWORS-UHFFFAOYSA-N- Molecular formula
- C9H12O2
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.08372962
Names & identifiers
- Preferred name
- 2,4,6-Trimethylbenzene-1,3-diol
- IUPAC
- 2,4,6-trimethylbenzene-1,3-diol
- English name
- 2,4-DIHYDROXY-1,3,5-TRIMETHYLBENZENE
- Molecular formula
- C9H12O2
- Molecular weight
- 152.19
Names & synonyms
2,4,6-trimethylbenzene-1,3-diol608-98-0DTXSID40287833RefChem:245830DTXCID802389802,4-DIHYDROXY-1,3,5-TRIMETHYLBENZENEMesorcin2,4,6-TrimethylresorcinolNSC52676SCHEMBL68382WSKJIXLOKYWORS-UHFFFAOYSA-NNSC-52676
Show more names
2,4,6-Trimethyl-1,3-benzenediol1,3-Benzenediol, 2,4,6-trimethyl-
AKOS006273410FD66429
Database identifiers
- CAS
608-98-0- PubChem CID
- 243272
- DTXSID
DTXSID40287833- Nikkaji
- J13.770G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Melting point
- 150.8 °C · 150.8°C
- Boiling point
- 274.5 °C · 274.5°C (estimate)
- Density
- 1.0505 · 1.0505 (rough estimate)
- refractive index
- 1.4024 · 1.4024 (estimate)
Chemistry & industry
Applications
Uses2,4-Dihydroxy-1,3,5-trimethylbenzene is a useful research chemical used in the preparation of quinazoline derivatives as RET kinase inhibitors useful in the treatment of cancer.
Upstream & downstream products
Upstream raw materials
Suppliers7 total
陕西科贝莱药物研发有限公司13119135307 13119135307 · [email protected]
山东旭晨化工科技有限公司0533-15715337262 15715337262 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
山东强森化工有限公司0533-18369966222-222 18369966222 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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