Basic information
- CAS
60951-21-5- Standard SMILES
OCCCc1cn[nH]c1- InChIKey
LGBRAJDGWUXFBO-UHFFFAOYSA-N- Molecular formula
- C6H10N2O
- Average molar mass
- 126.16 g/mol
- Monoisotopic mass
- 126.07931294
Names & identifiers
- Preferred name
- 3-(1H-pyrazol-4-yl)propan-1-ol
- IUPAC
- 3-(1H-pyrazol-4-yl)propan-1-ol
- English name
- 3-(1H-pyrazol-4-yl)-1-propanol(SALTDATA: FREE)
- Molecular formula
- C6H10N2O
- Molecular weight
- 126.16
Names & synonyms
3-(1H-pyrazol-4-yl)propan-1-ol60951-21-5DTXSID20393820RefChem:273341DTXCID70344680851-763-93-(1H-PYRAZOL-4-YL)-1-PROPANOLMFCD018233961H-Pyrazole-4-propanol3-pyrazol-4-ylpropan-1-olCHEMBL32762754-(3-hydroxypropyl)pyrazole
Show more names
3-(1H-pyrazol-4-yl)-1-propanol(SALTDATA: FREE)
SCHEMBL836016SCHEMBL1854748SCHEMBL10833545LGBRAJDGWUXFBO-UHFFFAOYSA-NALBB-018091BDBM50497147SBB073583STK378115
Database identifiers
- CAS
60951-21-5- PubChem CID
- 3578384
- DTXSID
DTXSID20393820- ChEMBL
CHEMBL3276275- EC Number
- 851-763-9
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 77.5
Physicochemical properties
- Boiling point
- 170 °C · 170 °C(Press: 3 Torr)
- Density
- 1.124 g/cm3 · 1.124 g/cm3(Temp: 25 °C)
- pka
- 14 · 14+-.0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H315-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H302-H315-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers10 total
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
苏州启航生物科技有限公司18662190603 · [email protected]
上海源香科生物科技有限公司13248186658
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
3 records
Compound notes
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