基本情報
- CAS
3782-80-7- 標準SMILES
CCOC(=O)c1ccc(N=Cc2ccc(-c3ccccc3)cc2)cc1- InChIKey
XCBIEOXLPPQJNF-UHFFFAOYSA-N- 分子式
- C22H19NO2
- 平均分子量
- 329.4 g/mol
- 単同位体質量
- 329.14157885
名称と識別子
- 優先名称
- Ethyl p-(p'-phenylbenzalamino)benzoate
- IUPAC
- ethyl 4-[(4-phenylphenyl)methylideneamino]benzoate
名称と別名
Ethyl p-(p'-phenylbenzalamino)benzoateP-((P-PHENYLBENZYLIDENE)AMINO)BENZOIC ACID ETHYL ESTERP-[(P-PHENYLBENZYLIDENE)AMINO]BENZOIC ACID ETHYL ESTERBENZOIC ACID, P-((P-PHENYLBENZYLIDENE)AMINO)-, ETHYL ESTERBENZOIC ACID, P-[(P-PHENYLBENZYLIDENE)AMINO]-, ETHYL ESTER4-(((-1,1'-BIPHENYL)-4-YLMETHYLENE)AMINO)BENZOIC ACID ETHYL ESTER4-[([-1,1'-BIPHENYL]-4-YLMETHYLENE)AMINO]BENZOIC ACID ETHYL ESTERRefChem:596359ETHYL 4-(4-PHENYLBENZALAMINO)BENZOATE3782-80-7Ethyl p-((p-phenylbenzylidene)amino)benzoateEthyl p-((p-phenylbenzylidene)amino)benzoate
名称をさらに表示
Ethyl p-[(p-phenylbenzylidene)amino]benzoateEthyl p-[(p-phenylbenzylidene)amino]benzoateSCHEMBL9436819DTXSID8074861Benzoic acid, 4-(((1,1'-biphenyl)-4-ylmethylene)amino)-, ethyl esterEthyl 4-{[([1,1'-biphenyl]-4-yl)methylidene]amino}benzoate
データベース識別子
- CAS
3782-80-7- PubChem CID
- 19608
- DTXSID
DTXSID8074861
物性
構造計算による物性
- XLogP
- 5.1
- 極性表面積
- 38.7 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 6
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 425
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
危険有害性情報
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile
Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
安全と保護具
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill ResponseSTORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
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