3-(1H-Pyrazol-1-yl)benzyl alcohol
Basic information
- CAS
864068-80-4- Standard SMILES
OCc1cccc(-n2cccn2)c1- InChIKey
VINVOQJANISHSK-UHFFFAOYSA-N- Molecular formula
- C10H10N2O
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.07931295
Names & identifiers
- Preferred name
- 3-(1H-Pyrazol-1-yl)benzyl alcohol
- IUPAC
- (3-pyrazol-1-ylphenyl)methanol
- English name
- [3-(1H-Pyrazol-1-yl)phenyl]methanol
- Molecular formula
- C10H10N2O
- Molecular weight
- 174.2
Names & synonyms
3-(1H-Pyrazol-1-yl)benzyl alcoholRefChem:489804640-884-0[3-(1H-pyrazol-1-yl)phenyl]methanol864068-80-4(3-(1h-pyrazol-1-yl)phenyl)methanol3-(1-Pyrazolyl)benzyl Alcohol(3-pyrazol-1-ylphenyl)methanol(3-Pyrazol-1-yl-phenyl)-methanol3-(1H-Pyrazol-1-yl)benzenemethanolMFCD06740322benzenemethanol, 3-(1H-pyrazol-1-yl)-
Show more names
3-(1H-Pyrazol-1-yl)benzylalcohol90%3-(1H-Pyrazol-1-yl)benzyl alcohol 90%[3-(1H-Pyrazol-1-yl)phenyl]methanol 90%
[3-(1-pyrazolyl)phenyl]methanol(3-pyrazolylphenyl)methan-1-olSCHEMBL28079351DTXSID90428178ALBB-010146AC7006SBB050238AKOS003237619
Database identifiers
- CAS
864068-80-4- PubChem CID
- 7164580
- DTXSID
DTXSID90428178- EC Number
- 640-884-0
- Nikkaji
- J2.758.772K
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 338.9 · 338.9±25.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 14.19 · 14.19±0.10(Predicted)
- form
- liquid
- color
- Orange to brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- HazardClass
- IRRITANT
- HS Code
- 2933199090 · 2933199090
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
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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