Basic information
- CAS
61466-44-2- Standard SMILES
O=C(c1cnn(-c2ccccc2)c1)c1ccccc1O- InChIKey
WTRJNEICFURGNX-UHFFFAOYSA-N- Molecular formula
- C16H12N2O2
- Average molar mass
- 264.28 g/mol
- Monoisotopic mass
- 264.08987763
Names & identifiers
- Preferred name
- 2-Hydroxyphenyl 1-phenyl-1H-pyrazol-4-yl ketone
- IUPAC
- (2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone
- English name
- (2-HYDROXYPHENYL)(1-PHENYL-1H-PYRAZOL-4-YL)METHANONE
- Molecular formula
- C16H12N2O2
- Molecular weight
- 264.28
Names & synonyms
2-Hydroxyphenyl 1-phenyl-1H-pyrazol-4-yl ketoneRefChem:473483622-322-661466-44-2(2-hydroxyphenyl)(1-phenyl-1h-pyrazol-4-yl)methanone(2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanoneMFCD00209592MLS000339632Methanone, (2-hydroxyphenyl)(1-phenyl-1H-pyrazol-4-yl)-SMR0002420492-hydroxyphenyl 1-phenylpyrazol-4-yl ketoneMethanone,(2-hydroxyphenyl)(1-phenyl-1H-pyrazol-4-yl)-
Show more names
TIMTEC-BB SBB0010171-PHENYL-4(2-HYDROXYBENZOYL)PYRAZOLE4-(2-HYDROXYBENZOYL)-1-PHENYL-PYRAZOLE2-HYDROXYPHENYL 1-PHENYL-1 H-PYRAZOL-4-YL KETONEJRH-02201, (2-Hydroxyphenyl)(1-phenyl-1H-pyrazol-4-yl)methanone, 97%
2-(1-phenyl-1H-pyrazole-4-carbonyl)phenolTimTec1_003985Oprea1_398994cid_688697SCHEMBL1993042CHEMBL1444150BDBM49644DTXSID60350957
Database identifiers
- CAS
61466-44-2
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 341
Physicochemical properties
- Melting point
- 108 · 108-110 °C(lit.)
- Boiling point
- 421.9 · 421.9±20.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 7.52 · 7.52±0.30(Predicted)
- InChI
- 1S/C16H12N2O2/c19-15-9-5-4-8-14(15)16(20)12-10-17-18(11-12)13-6-2-1-3-7-13/h1-11,19H
- InChIKey
- WTRJNEICFURGNX-UHFFFAOYSA-N
- SMILES
- Oc1ccccc1C(=O)c2cnn(c2)-c3ccccc3
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2-Hydroxyphenyl 1-phenyl-1H-pyrazol-4-yl ketone is a heterocyclic building block.
General Description2-Hydroxyphenyl 1-phenyl-1H-pyrazol-4-yl ketone is a heterocyclic building block.
Suppliers12 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
Aladdin Scientific[email protected]
苏州拜傲克生物科技有限公司18626188356 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
宝鸡缔都医药化工有限公司
Related reactions
2 records
Compound notes
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