(1-Isopropyl-1H-pyrazol-4-yl)methanol
Basic information
- CAS
1007542-22-4- Standard SMILES
CC(C)n1cc(CO)cn1- InChIKey
CZKNSLLDUNVBJQ-UHFFFAOYSA-N- Molecular formula
- C7H12N2O
- Average molar mass
- 140.18 g/mol
- Monoisotopic mass
- 140.09496301
Names & identifiers
- Preferred name
- (1-Isopropyl-1H-pyrazol-4-yl)methanol
- IUPAC
- (1-propan-2-ylpyrazol-4-yl)methanol
- English name
- AKOS PAO-0361
- Molecular formula
- C7H12N2O
- Molecular weight
- 140.18
Names & synonyms
(1-Isopropyl-1H-pyrazol-4-yl)methanol1007542-22-4(1-propan-2-ylpyrazol-4-yl)methanol[1-(propan-2-yl)-1H-pyrazol-4-yl]methanolMFCD080599631H-pyrazole-4-methanol, 1-(1-methylethyl)-(1-isopropylpyrazol-4-yl)methanolAKOS PAO-0361SCHEMBL12026627SCHEMBL27672079DTXSID10629680ALBB-014304
Show more names
CHEMBRDG-BB 4015218(1-isopropyl-4-pyrazolyl)methanol(1-isopropyl-1H-pyrazole-4-YL)Methanol(1-Isopropyl-1H-pyrazol-4-yl)methanol - [K88471](1-isopropyl-1H-pyrazol-4-yl)methanol(SALTDATA: FREE)
BBL015951STL170064AKOS003673006(1-isopropyl-1H-pyrazol-4-yl)-methanolAS-65439DA-18529SY081972CS-0035757
Database identifiers
- CAS
1007542-22-4- PubChem CID
- 23005683
- DTXSID
DTXSID10629680- EC Number
- 120-865-9
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 106
Physicochemical properties
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- solid
- Appearance
- Colorless to light yellow Liquid
- InChI
- 1S/C7H12N2O/c1-6(2)9-4-7(5-10)3-8-9/h3-4,6,10H,5H2,1-2H3
- InChIKey
- CZKNSLLDUNVBJQ-UHFFFAOYSA-N
- SMILES
- OCC1=CN(C(C)C)N=C1
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 2933199090 · 2933199090
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- 3
- hs_code
- 2933199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Related reactions
1 records
Compound notes
Loading…