基本信息
- 标准SMILES
NC(=O)Nc1ccccc1- InChIKey
LUBJCRLGQSPQNN-UHFFFAOYSA-N- 分子式
- C7H8N2O
- 平均分子量
- 136.15 g/mol
- 单同位素质量
- 136.06366288
概述
Phenyl urea pesticide, liquid, poisonous appears as a liquid dissolved or suspended in a liquid carrier. Contains any of several related compounds (Diuron, Fenuron, Linuron, Neburon, Siduron, Monuron) formally derived from urea. Carrier is water emulsifiable. Toxic by inhalation, skin absorption, or ingestion. Obtain the technical name of the specific pesticide and carrier from the shipping papers and contact CHEMTREC, 800-424-9300 for response information.
名称与标识
- 首选名称
- Phenylurea
- IUPAC
- phenylurea
- 中文名
- 苯基脲
- 英文名
- Phenylurea
- 分子式
- C7H8N2O
- 分子量
- 136.15
名称与别名
展开更多名称
数据库标识
- CAS
64-10-8- PubChem CID
- 6145
- DTXSID
DTXSID8042507- ChEMBL
CHEMBL168445- ChEBI
CHEBI:180992- UNII
- 862I85399W
- EC Number
- 200-576-5
- Nikkaji
- J4.834H
性质
结构计算性质
- XLogP
- 0.8
- 极性表面积
- 55.1 Ų
- 氢键供体
- 2
- 氢键受体
- 1
- 可旋转键
- 1
- 重原子
- 10
- 形式电荷
- 0
- 复杂度
- 119
实验与物化性质
Physical Description
Phenyl urea pesticide, liquid, poisonous appears as a liquid dissolved or suspended in a liquid carrier. Contains any of several related compounds (Diuron, Fenuron, Linuron, Neburon, Siduron, Monuron) formally derived from urea. Carrier is water emulsifiable. Toxic by inhalation, skin absorption, or ingestion. Obtain the technical name of the specific pesticide and carrier from the shipping papers and contact CHEMTREC, 800-424-9300 for response information.
物理化学性质
- 熔点
- 145 · 145-147 °C(lit.)
- 沸点
- 238 °C · 238 °C
- 密度
- 1 · 1,302 g/cm3
- 蒸气密度
- 1 · >1 (vs air)
- 折射率
- 1.5769 · 1.5769 (estimate)
- 闪点
- 238 °C · 238°C
- 储存条件
- Keep in dark place,Sealed in dry,Room Temperature
- 溶解度
- 2 O: · H2O: 10 mg/mL, clear
- 酸度系数(pKa)
- 13.37 · 13.37±0.50(Predicted)
- 形态
- Powder, Crystals and/or Chunks
- 颜色
- White to light yellow
- 水溶解性
- Soluble in water.
- Merck
- 14 · 14,7319
- BRN
- 1934615 · 1934615
- 稳定性
- Stable. Incompatible with strong oxidizing agents.
- InChI
- 1S/C7H8N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
- InChIKey
- LUBJCRLGQSPQNN-UHFFFAOYSA-N
- SMILES
- NC(=O)Nc1ccccc1
- CAS 数据库
- 64 · 64-10-8(CAS DataBase Reference)
- EPA化学物质信息
- Urea, phenyl- (64-10-8)
化学性质
无色针状结晶。熔点147℃(分解),沸点238℃。溶于热水、热醇、醚、乙酸乙酯和乙酸。
安全与法规
GHS分类
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 3 notifications to the ECHA C&L Inventory.
危害信息
Regulatory Information
Chemical: Urea, N-phenyl-
Phenylurea: Does not have an individual approval but may be used under an appropriate group standard
Reactivity Profile
Organic 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). Contains any of several related compounds (Diuron, Fenuron, Linuron, Neburon, Siduron, Monuron) formally derived from urea.
安全与防护
安全数据
- wgk
- 3
- tsca
- TSCA listed
- 毒性
- LD50 oral in rat: 2gm/kg
- RTECS号
- YU0650000
- 存储类别
- 11 - Combustible Solids
- 安全说明
- 22-36/37-24/25
- 海关编码
- 29242100
- 危险品标志
- Xn
- 危险性类别
- Acute Tox. 4 Oral
- 危险类别码
- 22
化学与工业
用途与制造
应用领域
用途用于有机合成。
用途医药中间体
制备方法
生产方法由苯胺与尿素反应而得。将尿素、盐酸及苯胺投入反应锅,加热搅拌,在100-104℃回流1h,反应毕,加水搅拌,冷却,甩滤,用水洗涤滤饼,干燥即得成品。
上下游产品信息
下游产品
试剂价格
- 13102 · 5g
- 苯基脲Phenylurea, 97%, Thermo Scientific Chemicals — 250元
- P0247 · 25G
- 苯基脲Phenylurea — 190元
供应商50 家
相关反应
关联笔记
加载中…