Basic information
- CAS
6317-85-7- Standard SMILES
CN(C)c1ccc(C(=O)C(O)c2ccccc2)cc1- InChIKey
SOLBSNQBVLAREX-UHFFFAOYSA-N- Molecular formula
- C16H17NO2
- Average molar mass
- 255.31 g/mol
- Monoisotopic mass
- 255.12592879
Names & identifiers
- Preferred name
- Ethanone, 1-[4-(dimethylamino)phenyl]-2-hydroxy-2-phenyl-
- IUPAC
- 1-[4-(dimethylamino)phenyl]-2-hydroxy-2-phenylethanone
- English name
- 4-(Dimethylamino)benzoin
- Molecular formula
- C16H17NO2
- Molecular weight
- 255.31
Names & synonyms
Ethanone, 1-[4-(dimethylamino)phenyl]-2-hydroxy-2-phenyl-EINECS 228-659-11-[4-(dimethylamino)phenyl]-2-hydroxy-2-phenylethan-1-oneDTXSID70884258NSC 10568NSC 268171-(4-Dimethylamino)phenyl)-2-hydroxy-2-phenylethanone1-(4-(Dimethylamino)phenyl)-2-hydroxy-2-phenylethan-1-oneEthanone, 1-(4-(dimethylamino)phenyl)-2-hydroxy-2-phenyl-RefChem:592485DTXCID401023712228-659-1
Show more names
LABOTEST-BB LT001337614-(Dimethylamino)benzoin4-DIMETHYLAMINOBENZOIN 97%4-(N,N-Dimethylamino)benzoinP-DIMETHYLAMINO-A-HYDROXY-A-PHENYLACETOPHENONE4′-Dimethylamino-2-hydroxy-2-phenylacetophenon4μ-Dimethylamino-2-hydroxy-2-phenylacetophenone2-(4-Dimethylaminophenyl)-2-oxo-1-phenylethanol
6317-85-74-Dimethylaminobenzoin1-[4-(Dimethylamino)phenyl]-2-hydroxy-2-phenylethanoneNSC10568Oprea1_476472SCHEMBL67861MLS000548179CHEMBL1525804
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Melting point
- 161 · 161-163 °C(lit.)
- Boiling point
- 439.6 · 439.6±35.0 °C(Predicted)
- Density
- 1.171 · 1.171±0.06 g/cm3(Predicted)
- pka
- 12.23 · 12.23±0.20(Predicted)
- EPA Substance Registry System
- 1 · Ethanone, 1-[4-(dimethylamino)phenyl]-2-hydroxy-2-phenyl- (6317-85-7)
- Symbol(GHS)
- 9 · GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H319-H335-H315-H400
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- TSCA
- TSCA listed
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
Danger
H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (97.6%)
Safety data
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS09,GHS06
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H301-H319-H335-H315-H400
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanone, 1-[4-(dimethylamino)phenyl]-2-hydroxy-2-phenyl-: INACTIVE
Suppliers14 total
南京予善化工有限公司025-025-85281586 +86-18105181009 · [email protected]
云南苏理生物医药科技有限公司0871-68355600 18787766125 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
河北赛利生物科技有限公司18932901920 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
石家庄艾莱斯医药科技有限公司0311-85150550 18932901920 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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