487376

3-Nitrophenyl isothiocyanate

98%

• Linear Formula: O₂NC₆H₄NCS
• CAS Number: 3529-82-6
• Molecular Weight: 180.18
• MDL number: MFCD00041245
• UNSPSC 코드: 12352100
• PubChem Substance ID: 24872267
• NACRES: NA.22

속성

• Quality Level: 100
• 분석: 98%
• mp: 57-60 °C (lit.)
• 작용기: isothiocyanate; nitro
• 저장 온도: 2-8°C
• 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

설명

일반 설명

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.

애플리케이션

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

안전성 정보

• 픽토그램: GHS05
• 신호어: Danger
• 유해 및 위험 성명서: H314
• 예방조치 성명서: P260 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363
• Hazard Classifications: Skin Corr. 1B
• Storage Class Code: 8A - Combustible corrosive hazardous materials
• WGK: WGK 3
• Flash Point (°F): Not applicable
• Flash Point (°C): Not applicable
• 개인 보호 장비: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges