Basic information
- CAS
70817-17-3- Standard SMILES
OCc1cnn(Cc2ccccc2)c1- InChIKey
HJPOQNKXQHXEKE-UHFFFAOYSA-N- Molecular formula
- C11H12N2O
- Average molar mass
- 188.23 g/mol
- Monoisotopic mass
- 188.094963
Names & identifiers
- Preferred name
- (1-benzyl-1H-pyrazol-4-yl)methanol
- IUPAC
- (1-benzylpyrazol-4-yl)methanol
- English name
- (1-BENZYL-1H-PYRAZOL-4-YL)METHANOL
- Molecular formula
- C11H12N2O
- Molecular weight
- 188.23
Names & synonyms
(1-benzyl-1H-pyrazol-4-yl)methanol70817-17-3(1-BENZYLPYRAZOL-4-YL)METHANOL(1-benzyl-1H-pyrazol-4-yl)-methanolSCHEMBL1244019DTXSID40588130HJPOQNKXQHXEKE-UHFFFAOYSA-N[1-benzylpyrazol-4-yl]methan-1-olAKOS000125942DB-361802CS-0380067EN300-30731
Show more names
AKOS BBV-0054071H-Pyrazole-4-methanol, 1-(phenylmethyl)-
G26281Z228585364
Database identifiers
- CAS
70817-17-3- PubChem CID
- 16769828
- DTXSID
DTXSID40588130
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 146 · 146-148 °C(Press: 0.2 Torr)
- Density
- 1.155 g/cm3 · 1.155 g/cm3(Temp: 25 °C)
- pka
- 14.14 · 14.14±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers11 total
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
天津林宸科技有限公司15122256084 15122256084 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
天津瑾昇生物医药科技有限责任公司13820634634 18622687818 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
河北药成医药科技有限责任公司19903117580 19903117510 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
11 records
Compound notes
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