基本信息
- 标准SMILES
O=C=Nc1ccc2ccccc2c1- InChIKey
XIXJQNFTNSQTBT-UHFFFAOYSA-N- 分子式
- C11H7NO
- 平均分子量
- 169.18 g/mol
- 单同位素质量
- 169.05276385
名称与标识
- 首选名称
- 2-Naphthyl isocyanate
- IUPAC
- 2-isocyanatonaphthalene
- 中文名
- 2-萘基异氰酸酯
- 英文名
- 2-Naphthyl isocyanate
- 分子式
- C11H7NO
- 分子量
- 169.18
名称与别名
展开更多名称
数据库标识
- CAS
2243-54-1- PubChem CID
- 16718
- DTXSID
DTXSID00176956- UNII
- 9ZE6124VOI
- EC Number
- 218-815-7
- Nikkaji
- J95.523J
性质
结构计算性质
- XLogP
- 3.7
- 极性表面积
- 29.4 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 1
- 重原子
- 13
- 形式电荷
- 0
- 复杂度
- 220
物理化学性质
- 熔点
- 53 · 53-56 °C (lit.)
- 沸点
- 83 °C/0.2 · 83 °C/0.2 mmHg (lit.)
- 密度
- 1.1616 · 1.1616 (rough estimate)
- 折射率
- 1.49 · 1.4900 (estimate)
- 形态
- Chunks
- 颜色
- White
- 水溶解性
- It hydrolyzes in water.
- 敏感性
- Moisture Sensitive
- InChI
- 1S/C11H7NO/c13-8-12-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H
- InChIKey
- XIXJQNFTNSQTBT-UHFFFAOYSA-N
- SMILES
- O=C=Nc1ccc2ccccc2c1
安全与法规
GHS分类
GHS Classification
Danger
H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (90.9%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (90.9%): Harmful if inhaled [Warning Acute toxicity, inhalation];H334 (13.6%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危害信息
安全数据
- wgk
- 3
- RTECS号
- QJ7950000
- 危险等级
- IRRITANT
- 存储类别
- 11 - Combustible Solids
- 安全说明
- 26-27-36/37/39-45
- 海关编码
- 29291090
- 危险品标志
- Xn
- 危险性类别
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
- 危险类别码
- 20/21/22-36/37/38
- 危险品运输编号
- UN 3335
包装储运
可燃性危险特性明火可燃; 燃烧释放有毒氮氧化物烟雾
储运特性库房通风低温干燥; 与氧化剂、酸类、食品添加剂分开存放
灭火剂干粉、泡沫、二氧化碳、砂土。(禁用酸碱灭火剂)。
化学与工业
上下游产品信息
上游原料
试剂价格
- H51076 · 1g
- 2-萘基异氰酸酯, 97%2-Naphthyl isocyanate, 97% — 3479元
- C31944 · 1g
- 2-萘基异氰酸酯2-Naphthyl isocyanate, 97% — 1622元
供应商40 家
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