产品说明
一般描述
3-Nitrophenyl isothiocyanate, also known as 1-isothiocyanato-3-nitrobenzene, is an organic building block containing an isocyanate group. Its enthalpy of vaporization at boiling point has been reported. Some of its physical properties like freezing point, boiling point, density and refractive index have been evaluated. Its synthesis from 3-nitroaniline has been reported.
应用
3-Nitrophenyl isothiocyanate may be used in the synthesis of 2-[(3-nitrophenyl)amino]naphtho[2,1-b]furo-5H-[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin- 5-one and 5-methyl-3-(3-nitrophenyl)-2-thiooxazolidin-4-one.
It may be used in the synthesis of the following thiourea derivatives:
- N-[(3-chlorophenyl)methyl]-N′-(3-nitrophenyl)thiourea
- N-[(5-chloro-2-methoxyphenyl)methyl]-N′-(3-nitrophenyl)thiourea
- R/S-N-[6-chlorochroman-4-yl]-N′-(3-nitrophenyl)thiourea
包装
10 g in glass bottle
基本信息
线性分子式 | O2NC6H4NCS |
分子量 | 180.18 |
MDL编号 | MFCD00041245 |
PubChem化学物质编号 | 24872267 |
NACRES | NA.22 |
产品性质
质量水平 | 100 |
测定 | 98% |
mp | 57-60 ℃ (lit.) |
储存温度 | 2-8℃ |
SMILES string | [O-][N+](=O)c1cccc(c1)N=C=S |
InChI | 1S/C7H4N2O2S/c10-9(11)7-3-1-2-6(4-7)8-5-12/h1-4H |
InChI key | OEZXLKSZOAWNJU-UHFFFAOYSA-N |
安全信息
象形图 | |
警示用语: | Danger |
危险声明 | H314 |
预防措施声明 | P260 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363 |
危险分类 | Skin Corr. 1B |
储存分类代码 | 8A - Combustible, corrosive hazardous materials |
WGK | WGK 3 |
闪点(F) | Not applicable |
闪点(C) | Not applicable |
个人防护装备 | Eyeshields, Faceshields, Gloves, type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges |