基本情報
- 標準SMILES
NC(=O)N(c1ccccc1)c1ccccc1- InChIKey
XKAFKUGMXFMRCC-UHFFFAOYSA-N- 分子式
- C13H12N2O
- 平均分子量
- 212.25 g/mol
- 単同位体質量
- 212.094963
概要
Asym-diphenylurea appears as needles or white crystals. (NTP, 1992)
名称と識別子
- 優先名称
- 1,1-Diphenylurea
- IUPAC
- 1,1-diphenylurea
- 現地名
- N,N-ジフェニル尿素
- 英語名
- 1,1-diphenylurea
- 分子式
- C13H12N2O
- 分子量
- 212.25
名称と別名
名称をさらに表示
データベース識別子
- CAS
26763-63-3、603-54-3- PubChem CID
- 33603
- DTXSID
DTXSID7025184- ChEMBL
CHEMBL169502- UNII
- H33D27I551
- EC Number
- 210-048-6
- Nikkaji
- J6.809H
物性
構造計算による物性
- XLogP
- 1.5
- 極性表面積
- 46.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 2
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 212
実験および物理化学的性質
物理化学的性質
- 融点
- 189 °C · 189°C
- 沸点
- 352.09 °C · 352.09°C (rough estimate)
- 比重(密度)
- 1.276 · 1.2760
- 屈折率
- 1.692 · 1.6920 (estimate)
- 酸解離定数(Pka)
- 15.11 · 15.11±0.50(Predicted)
- 安定性
- 安定。可燃性。強力な酸化剤とは相容れない。
- EPAの化学物質情報
- 1 · 1,1-Diphenylurea (603-54-3)
化学的性質
化学的特性white crystals
安全と法規制
危険有害性情報
Reactivity Profile
ASYM-DIPHENYLUREA is an amide. Amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).
安全と保護具
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 Response
SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
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)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
応用分野
一般的な説明Needles or white crystals.
調製方法
純化方法Crystallise 1,1-diphenylurea from MeOH. [Beilstein for 1,3 12 IV 741.]
上流・下流製品情報
上流原料
サプライヤー4 社
関連反応
関連ノート
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