Basic information
- CAS
3934-97-2- Standard SMILES
COc1ccc(O)c(O)c1- InChIKey
JXZABYGWFNGNLB-UHFFFAOYSA-N- Molecular formula
- C7H8O3
- Average molar mass
- 140.14 g/mol
- Monoisotopic mass
- 140.04734411
Overview
4-methoxybenzene-1,2-diol is a member of phenols and a member of methoxybenzenes.
Names & identifiers
- Preferred name
- 1,2-Benzenediol, 4-methoxy-
- IUPAC
- 4-methoxybenzene-1,2-diol
- English name
- 4-Methoxycatechol
- Molecular formula
- C7H8O3
- Molecular weight
- 140.14
Names & synonyms
4-Methoxybenzene-1,2-diol3934-97-21,2-Benzenediol, 4-methoxy-p-MethoxycatecholDTXSID50192565RefChem:411264DTXCID90115056811-540-94-METHOXYCATECHOL4-Methoxy-1,2-benzenediolMFCD18395726Omeprazole Impurity 69
Show more names
Phloroglucinol Impurity 28Estr-4-en-3-one,17-hydroxy-,(22β)-
4-Methoxyactechol4-methoxy pyrocatechol4-Methoxycatechol, 3,4-DihydroxyanisoleSCHEMBL674984-Methoxy-1,2-benzenediol #orb2695041SCHEMBL58987221,2-dihydroxy-4-methoxybenzene
Database identifiers
- CAS
3934-97-2- PubChem CID
- 587766
- DTXSID
DTXSID50192565- ChEBI
CHEBI:193963- EC Number
- 811-540-9
- Nikkaji
- J801.906A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Melting point
- 48 · 48-50 °C
- Boiling point
- 120 · 120-124 °C(Press: 1 Torr)
- Density
- 1.27 · 1.270±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- pka
- 9.42 · 9.42±0.10(Predicted)
- color
- Very Dark Brown
- LogP
- 0.825 · 0.825 (est)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261
- HS Code
- 2909309090 · 2909309090
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2909309090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers34 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
江苏南创化学与生命健康研究院有限公司15720605021 · [email protected]
湖北丹鼎医药科技有限公司18917019315（微信同号） 17701422019 · [email protected]
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
斯芬克司药物研发（天津）股份有限公司022-66211289-843 13672102692 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Related reactions
4 records
Compound notes
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