基本情報
- 標準SMILES
NC(=O)Nc1cccc2ccccc12- InChIKey
FVSUYFWWFUVGRG-UHFFFAOYSA-N- 分子式
- C11H10N2O
- 平均分子量
- 186.21 g/mol
- 単同位体質量
- 186.07931294
概要
Naphthylurea appears as a gray solid. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
名称と識別子
- 優先名称
- 1-Naphthylurea
- IUPAC
- naphthalen-1-ylurea
- 現地名
- 1-(1-ナフチル)尿素
- 英語名
- 1-NAPHTHYLUREA
- 分子式
- C11H10N2O
- 分子量
- 186.21
名称と別名
名称をさらに表示
データベース識別子
- CAS
6950-84-1- PubChem CID
- 81387
- DTXSID
DTXSID1075303- ChEMBL
CHEMBL1550615- UNII
- PJB18S9URE
- EC Number
- 230-121-6
- Nikkaji
- J265.985I
物性
構造計算による物性
- XLogP
- 1.1
- 極性表面積
- 55.1 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 1
- 回転可能結合数
- 1
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 217
実験および物理化学的性質
物理化学的性質
- 融点
- 219.5 °C · 219.5°C
- 沸点
- 320.7 °C · 320.7°C (rough estimate)
- 比重(密度)
- 1.1458 · 1.1458 (rough estimate)
- 屈折率
- 1.53 · 1.5300 (estimate)
- 貯蔵温度
- 2 · 2-8°C
- 酸解離定数(Pka)
- 14.45 · 14.45±0.50(Predicted)
- EPAの化学物質情報
- 1 · Urea, 1-naphthalenyl- (6950-84-1)
安全と法規制
GHS分類
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
Fire Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· Combustible material: may burn but does not ignite readily.
Health Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.
Reactivity Profile
NAPHTHYLUREA 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).
DOT Hazard Classification
Naphthylurea
UN1652
Div 6.1 Poisonous materials (49 eCFR § 173.132)
PG II: the degree of danger presented by the material is medium
安全と保護具
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
General First Aid:
Isolation and Evacuation
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Immediate precautionary measure
安全データ
- ridadr
- UN 1652
- hazard_class
- 6.1
- packing_group
- II
化学と産業
応用分野
一般的な説明A gray solid. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
調製方法
純化方法Crystallise the urea from EtOH (m 213-214o also 215o). [Beilstein 12 H 1238, 12 IV 3076.]
上流・下流製品情報
下流製品
サプライヤー13 社
関連反応
関連ノート
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