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| CAS No.: | 822-55-9 |
|---|---|
| Name: | Imidazole-4-methanol |
| Article Data: | 4 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H6N2O |
| Molecular Weight: | 98.1044 |
| Synonyms: | 1H-Imidazole-4-methanol(9CI);Imidazole-4(or 5)-methanol (6CI,7CI);Imidazole-4-methanol (8CI);1H-Imidazol-4-ylmethanol;4-(Hydroxymethyl)imidazole;4-Imidazolylmethanol;4-Methylol-1H-imidazole;5-(Hydroxymethyl)imidazole;NSC 39016; |
| Density: | 1.311 g/cm3 |
| Melting Point: | 88-92 °C |
| Boiling Point: | 393.7 °C at 760 mmHg |
| Flash Point: | 191.9oC |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 48.91000 |
| LogP: | -0.09800 |
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Chemistry
IUPAC Name: 1H-Imidazol-5-ylmethanol
Following is the structure of 1H-Imidazole-5-methanol (CAS NO.822-55-9):
Empirical Formula: C4H6N2O
Molecular Weight: 98.1032 g/mol
Molar Refractivity: 25.22 cm3
Molar Volume: 74.7 cm3
Density: 1.311 g/cm3
Flash Point: 191.9 °C
Melting point: 88-92 °C
Index of Refraction: 1.589
Surface Tension: 67.7 dyne/cm
Enthalpy of Vaporization: 67.88 kJ/mol
Boiling Point: 393.7 °C at 760 mmHg
Vapour Pressure: 6.63E-07 mmHg at 25 °C
Product Categories: blocks; Imidazoles; pharmacetical; Imidaxoles; Building Blocks; Heterocyclic Building Blocks
Canonical SMILES: C1=C(NC=N1)CO
InChI: InChI=1S/C4H6N2O/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6)
InChIKey: QDYTUZCWBJRHKK-UHFFFAOYSA-N
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 2020mg/kg (2020mg/kg) | Progress in Biochemical Pharmacology. Vol. 1, Pg. 542, 1965. |
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
Hazard Note: Irritant
Specification
1H-Imidazole-5-methanol , its cas register number is 822-55-9. It also can be called 4-(Hydroxymethyl)imidazole ; 4-Imidazolemethanol ; 1H-Imidazole-4-methanol (9CI) ; and Imidazole-4-methanol . Its classification code is Drug / Therapeutic Agent.