Basic information
- CAS
1137-96-8- Standard SMILES
[O-][N+](=Cc1ccccc1)c1ccccc1- InChIKey
ZEAUJQWDPKRESH-UHFFFAOYSA-N- Molecular formula
- C13H11NO
- Average molar mass
- 197.23 g/mol
- Monoisotopic mass
- 197.08406397
Names & identifiers
- Preferred name
- Diphenylnitrone
- IUPAC
- N,1-diphenylmethanimine oxide
- English name
- N,alpha-diphenyl nitrone
- Molecular formula
- C13H11NO
- Molecular weight
- 197.23
Names & synonyms
DiphenylnitroneN,1-diphenylmethanimine oxiden-benzylidene-n-phenylamine oxideNCIOpen2_001630N-Diphenylmethanimine N-oxideSCHEMBL264278SCHEMBL9493050HMS3333C14HMS3339K03DB-041184NS00044659P3290
Show more names
N,α-DiphenylnitroneC,N-Diphenylnitrone(Z)-N,1-Diphenylmethanimine oxideAKOS 92879n,à-diphenyl nitronealpha,N-DiphenylnitroneN,alpha-diphenyl nitroneN,ɑ-Diphenyl nitrone, 97%Benzaldehydephenylnitrone
Database identifiers
- CAS
1137-96-8- PubChem CID
- 70822
- DTXSID
DTXSID30877126
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 28.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Melting point
- 113 · 113-114°C
- Boiling point
- 334.34 °C · 334.34°C (rough estimate)
- Density
- 1.0957 · 1.0957 (rough estimate)
- refractive index
- 1.605 · 1.6050 (estimate)
- pka
- 0.1 · 0.10±0.53(Predicted)
- Water Solubility
- 25 °C, · Soluble in water at 25°C, 1120 mg/L.
- BRN
- 608470 · 608470
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
- Safety Statements
- 22 · 22-24/25
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
- safety_code
- 22-24/25
- Hazard statements
- H319-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesIt is used as a pharmaceutical intermediate.
Suppliers15 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
重庆博涛生物科技有限公司15223382610 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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