Basic information
- CAS
33457-48-6- Standard SMILES
OCc1nc[nH]c1CO- InChIKey
AGJXDKGTTMVHOU-UHFFFAOYSA-N- Molecular formula
- C5H8N2O2
- Average molar mass
- 128.13 g/mol
- Monoisotopic mass
- 128.0585775
Names & identifiers
- Preferred name
- 1H-Imidazole-4,5-dimethanol
- IUPAC
- [4-(hydroxymethyl)-1H-imidazol-5-yl]methanol
- English name
- 1H-Imidazole-4,5-dimethanol
- Molecular formula
- C5H8N2O2
- Molecular weight
- 128.13
Names & synonyms
1H-Imidazole-4,5-dimethanol33457-48-6DTXSID60341527RefChem:1058007DTXCID80292608(1H-Imidazole-4,5-diyl)dimethanol4,5-Bis(hydroxymethyl)imidazole[4-(hydroxymethyl)-1H-imidazol-5-yl]methanolMFCD00191661[5-(hydroxymethyl)-1H-imidazol-4-yl]methanol4,5-Imidazoledimethanol4,5 di(hydroxymethyl)imidazole
Show more names
Imidazoledimethanol(1H-Imidazole-4,5-diyl)1H-Imidazole-4,5-dimethyanol4,5-dihydroxymethylimidazole1H-IMIDAZOLE-4 5-DIMETHANOL 98+%(1H-pyrazole-4,5-diyl)diMethanol
SCHEMBL8607045AGJXDKGTTMVHOU-UHFFFAOYSA-SBB085718AKOS006229803AS-61371SY053238DB-048411CS-0451288
Database identifiers
- CAS
33457-48-6- PubChem CID
- 573629
- DTXSID
DTXSID60341527- Nikkaji
- J1.387.121C
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 89
Physicochemical properties
- Melting point
- 162 °C · 162 °C
- Boiling point
- 487.6 · 487.6±35.0 °C(Predicted)
- Density
- 1.445 · 1.445±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- pka
- 12.83 · 12.83±0.10(Predicted)
- color
- White to Almost white
- CAS DataBase Reference
- 33457 · 33457-48-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Safety Statements
- 24 · 24/25
- HS Code
- 2933.29 · 2933.29.9000
Safety & regulation
Safety data
- hs_code
- 2933.29.9000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers40 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海源鼎化学科技有限公司21-57721279 18121011378 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
重庆科脉材料科技有限公司17830741407 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
Related reactions
1 records
Compound notes
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