Basic information
- CAS
32673-41-9- Standard SMILES
Cl.OCc1cnc[nH]1- InChIKey
WFNASTYGEKUMIY-UHFFFAOYSA-N- Molecular formula
- C4H7ClN2O
- Average molar mass
- 134.56 g/mol
- Monoisotopic mass
- 134.02469052
Names & identifiers
- Preferred name
- Imidazol-4-ylmethanol hydrochloride
- IUPAC
- 1H-imidazol-5-ylmethanol;hydrochloride
- English name
- 4-Imidazolemethanol hydrochloride
- Molecular formula
- C4H7ClN2O
- Molecular weight
- 134.56
Names & synonyms
Imidazol-4-ylmethanol hydrochlorideImidazol-4-ylmethanol HCl1H-Imidazole-4-methanol, monohydrochlorideEINECS 251-150-0DTXSID70186345NSC 26996RefChem:790723DTXCID80108836251-150-032673-41-94-Imidazolemethanol hydrochloride(1H-Imidazol-4-yl)methanol hydrochloride
Show more names
AKOS 85emethanoL4(5)-(HYDROXYMETHYTIMTEC-BB SBB004207RARECHEM AL BD 07621H-IMIDAZOL-4-YLMETHANOL4-Imidazolylmethanol hydImidazole-4-methanol, HCl4-Hydromethylimidazole HCL
4-(HYDROXYMETHYL)IMIDAZOLE HYDROCHLORIDE4-Hydroxymethylimidazole hydrochlorideMFCD000126971H-imidazol-5-ylmethanol;hydrochloride4-(HYDROXYMETHYL)IMIDAZOLE HCL1H-Imidazole-4-ylmethanol hydrochloride4(5)-Hydroxymethylimidazole Hydrochloride1H-Imidazol-4-ylmethanol hydrochloride
Database identifiers
- CAS
32673-41-9- PubChem CID
- 122926
- DTXSID
DTXSID70186345- ChEMBL
CHEMBL1255967- EC Number
- 251-150-0
Properties
Computed structural properties
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 57.7
Physicochemical properties
- Melting point
- 110 °C · 110 °C
- storage temp.
- 2 · 2-8°C
- solubility
- 50 mg/mL, · water: soluble50mg/mL, clear to slightly hazy, colorless to yellow
- form
- crystalline
- color
- off-white to yellow
- Water Solubility
- Soluble in water.
- BRN
- 3562041 · 3562041
- Stability
- Hygroscopic
- InChI
- 1S/C4H6N2O.ClH/c7-2-4-1-5-3-6-4;/h1,3,7H,2H2,(H,5,6);1H
- InChIKey
- WFNASTYGEKUMIY-UHFFFAOYSA-N
- SMILES
- Cl[H].OCc1c[nH]cn1
- CAS DataBase Reference
- 32673 · 32673-41-9(CAS DataBase Reference)
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
Safety & regulation
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)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information1H-Imidazole-4-methanol, monohydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 3
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29332900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Applications
UsesSynthesis of imidazole-containing peptidomimetic inhibitors.1
Uses4-Imidazolemethanol hydrochloride was used in the synthesis of imidazole-containing peptidomimetic inhibitors.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
1 records
Compound notes
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