(1-phenyl-1H-pyrazol-4-yl)methanol
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Basic information
- CAS
70817-26-4- Standard SMILES
OCc1cnn(-c2ccccc2)c1- InChIKey
UCPVQFRIXFGLOJ-UHFFFAOYSA-N- Molecular formula
- C10H10N2O
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.07931294
Names & identifiers
- Preferred name
- (1-phenyl-1H-pyrazol-4-yl)methanol
- IUPAC
- (1-phenylpyrazol-4-yl)methanol
- English name
- (1-Phenyl-1H-pyrazol-4-yl)methanol
- Molecular formula
- C10H10N2O
- Molecular weight
- 174.2
Names & synonyms
(1-phenyl-1H-pyrazol-4-yl)methanol70817-26-4DTXSID40356391RefChem:204661DTXCID50307450(1-phenylpyrazol-4-yl)methanolMFCD001595951h-pyrazole-4-methanol, 1-phenyl-SCHEMBL24129114-hydroxymethyl-1-phenylpyrazoleHMS1733G16CCG-314253
Show more names
ZINC00340724AG-613/311400021-Phenyl-1H-pyrazole-4-methanol(1-PHENYL)-1H-PYRAZOLE-4YL)METHANOL(1-phenyl-1H-pyrazol-4-yl)methanol(SALTDATA: FREE)
AB04172AS-35450CS-0139209(1-Phenyl-1H-pyrazol-4-yl)-methanol(1-Phenyl-4-pyrazolyl)methanolUCPVQFRIXFGLOJ-UHFFFAOYSA-NALBB-012546AKOS000249006
Database identifiers
- CAS
70817-26-4- PubChem CID
- 822983
- DTXSID
DTXSID40356391- EC Number
- 180-879-6
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- 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
- 157
Physicochemical properties
- Melting point
- 110 · 110-111 °C(Solv: water (7732-18-5))
- Boiling point
- 332.3 · 332.3±17.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- pka
- 14.01 · 14.01±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- 1S/C10H10N2O/c13-8-9-6-11-12(7-9)10-4-2-1-3-5-10/h1-7,13H,8H2
- InChIKey
- UCPVQFRIXFGLOJ-UHFFFAOYSA-N
- SMILES
- OCc1cnn(c1)-c2ccccc2
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
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
H302 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
3 records
Compound notes
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