Basic information
- CAS
13239-13-9- Standard SMILES
COc1cc(O)c(OC)cc1O- InChIKey
GLJCPHKWYYCHCQ-UHFFFAOYSA-N- Molecular formula
- C8H10O4
- Average molar mass
- 170.16 g/mol
- Monoisotopic mass
- 170.0579088
Names & identifiers
- Preferred name
- 2,5-Dimethoxybenzene-1,4-diol
- IUPAC
- 2,5-dimethoxybenzene-1,4-diol
- English name
- 2,5-dimethoxybenzene-1,4-diol
- Molecular formula
- C8H10O4
- Molecular weight
- 170.16
Names & synonyms
2,5-dimethoxybenzene-1,4-diol13239-13-91,4-Benzenediol, 2,5-dimethoxy-AI3-61031DTXSID10927653NSC 139147RefChem:82909DTXCID00985308823-922-2GLJCPHKWYYCHCQ-UHFFFAOYSA-N2,5-dimethoxyhydroquinoneMFCD24713419
Show more names
SCHEMBL69624ghl.PD_Mitscher_leg0.1033NAA239131,4-dihydroxy-3,6-dimethoxybenzeneNSC139147NSC-139147DS-003702G65105
Database identifiers
- CAS
13239-13-9- PubChem CID
- 97641
- DTXSID
DTXSID10927653- EC Number
- 823-922-2
- Nikkaji
- J801.999A
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 123
Physicochemical properties
- Melting point
- 170 °C · 170 °C
- Boiling point
- 355.4 · 355.4±37.0 °C(Predicted)
- Density
- 1.267 · 1.267±0.06 g/cm3(Predicted)
- pka
- 10.02 · 10.02±0.23(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
- H319-H335-H315-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers5 total
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
河南普赛化工产品有限公司0371-60919097 15378766539 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
陕西国槐硕海医药科技有限公司029-13279368192 13279368192 · [email protected]
郑州浩创新材料有限公司19139721821; 19139721821 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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