Basic information
- CAS
875570-76-6- Standard SMILES
COc1nn(C)cc1CO- InChIKey
INMQDURGNQFXFO-UHFFFAOYSA-N- Molecular formula
- C6H10N2O2
- Average molar mass
- 142.16 g/mol
- Monoisotopic mass
- 142.07422757
Names & identifiers
- Preferred name
- (3-methoxy-1-methyl-1H-pyrazol-4-yl)methanol
- IUPAC
- (3-methoxy-1-methylpyrazol-4-yl)methanol
- English name
- 1H-Pyrazole-4-methanol, 3-methoxy-1-methyl-
- Molecular formula
- C6H10N2O2
- Molecular weight
- 142.16
Names & synonyms
(3-methoxy-1-methyl-1H-pyrazol-4-yl)methanol875570-76-6RefChem:400310836-613-21-Methyl-3-methoxy-1H-pyrazole-4-methanol(3-methoxy-1-methylpyrazol-4-yl)methanolSCHEMBL23925315AKB57076MFCD16620639AT14022SY5664163-methoxy-1-methyl-1H-Pyrazole-4-methanol
Show more names
3-Methoxy-1-methyl-1H-pyrazol-4-methanol1H-Pyrazole-4-methanol, 3-methoxy-1-methyl-
DB-425043EN300-701347
Database identifiers
- CAS
875570-76-6- PubChem CID
- 11622348
- EC Number
- 836-613-2
- Nikkaji
- J2.269.911C
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Boiling point
- 273.8 · 273.8±25.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 13.61 · 13.61±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H303-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P312
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P271, P280, P301+P317, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 5 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H303-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P312
Chemistry & industry
Suppliers3 total
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
苏州启航生物科技有限公司18662190603 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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