Basic information
- CAS
23585-49-1- Standard SMILES
OCc1ccn[nH]1- InChIKey
UIEABCXJWANXFS-UHFFFAOYSA-N- Molecular formula
- C4H6N2O
- Average molar mass
- 98.1 g/mol
- Monoisotopic mass
- 98.04801282
Names & identifiers
- Preferred name
- (1H-Pyrazol-3-yl)methanol
- IUPAC
- 1H-pyrazol-5-ylmethanol
- English name
- (1H-PYRAZOL-3-YL)METHANOL
- Molecular formula
- C4H6N2O
- Molecular weight
- 98.1
Names & synonyms
(1H-Pyrazol-3-yl)methanol23585-49-1DTXSID30406758RefChem:204872DTXCID30357610826-214-11H-Pyrazole-3-methanol1H-pyrazol-5-ylmethanol1H-pyrazol-3-ylmethanol3-(HYDROXYMETHYL)PYRAZOLE(1h-pyrazol-5-yl)methanolMFCD08436148
Show more names
1H-pyarzole-3-methanol1H-Pyrazole-3-methanol 95%3-HyroxyMethyl-1H-pyrazol...1H-Pyrazole-3-methanol (9CI, ACI)3-(Hydroxymethyl)pyrazole , (1H-Pyrazol-3-yl)methanol
3-HYROXYMETHYL-1H-PYRAZOLEC4H6N2O(1H-Pyrazol-3-yl)-methanol1~{H}-pyrazol-5-ylmethanolCHEMBL3275945pyrazol-5-ylmethan-1-olhydroxymethylpyrazoleIRU
Database identifiers
- CAS
23585-49-1- PubChem CID
- 4913243
- DTXSID
DTXSID30406758- ChEMBL
CHEMBL3275945- EC Number
- 826-214-1
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 57.7
Physicochemical properties
- Melting point
- 184 · 184-185 °C
- Boiling point
- 137 · 137-140 °C(Press: 0.5 Torr)
- Density
- 1.225 g/cm3 · 1.225 g/cm3(Temp: 25 °C)
- storage temp.
- 2 · 2-8°C
- form
- solid
- pka
- 13.59 · 13.59±0.10(Predicted)
- color
- Off White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P261-P280
- HS Code
- 2933119000 · 2933119000
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (50%): 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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2933119000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P261-P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
山东普创医药科技有限公司18953403321 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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