4-Nitrophenyl isocyanate CAS 100-28-7

Introduction：Basic information about 4-Nitrophenyl isocyanate CAS 100-28-7, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

4-Nitrophenyl isocyanate Basic information

• Product Name: 4-Nitrophenyl isocyanate
• Synonyms: 1-isocyanato-4-nitro-benzen;ai3-28253;benzene,1-isocyanato-4-nitro-;Isocyanic acid, p-nitrophenyl ester;(contains varying aMounts of polyMers);4-Nitrophenyl Isocyanate 4-Nitrophenyl isocyanate, 98% 25GR;4-Nitrophenyl isocyanate, 98% 5GR
• CAS: 100-28-7
• MF: C7H4N2O3
• MW: 164.12
• EINECS: 202-836-3
• Product Categories: Isocyanates;Phenyls & Phenyl-Het;Phenyls & Phenyl-Het;Nitrogen Compounds;Organic Building Blocks;Carbohydrates & Derivatives
• Mol File: 100-28-7.mol

4-Nitrophenyl isocyanate Chemical Properties

• Melting point: 56-59 °C(lit.)
• Boiling point: 137-138 °C11 mm Hg(lit.)
• density: 1.5018 (rough estimate)
• refractive index: 1.5300 (estimate)
• Fp: >110°C
• storage temp.: 2-8°C
• solubility: soluble in Benzene,Toluene
• form: Crystalline Solid
• color: Yellow
• Water Solubility: Insoluble in water.
• Sensitive: Moisture Sensitive
• BRN: 389516
• InChI: 1S/C7H4N2O3/c10-5-8-6-1-3-7(4-2-6)9(11)12/h1-4H
• InChIKey: GFNKTLQTQSALEJ-UHFFFAOYSA-N
• SMILES: [O-][N+](=O)c1ccc(cc1)N=C=O
• CAS DataBase Reference: 100-28-7(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, 1-isocyanato-4-nitro-(100-28-7)
• EPA Substance Registry System: p-Nitrophenyl isocyanate (100-28-7)

Safety Information

• Hazard Codes: Xn
• Risk Statements: 20/21/22-36/37/38-42
• Safety Statements: 22-26-36/37/39-45
• RIDADR: 2206
• WGK Germany: 3
• RTECS: DA3692500
• F: 10-19-21
• TSCA: TSCA listed
• HazardClass: 6.1(b)
• PackingGroup: III
• HS Code: 29291090
• Storage Class: 11 - Combustible Solids
• Hazard Classifications: Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Resp. Sens. 1 Skin Irrit. 2 Skin Sens. 1 STOT SE 3
• Toxicity: LD50 orl-rat: 1600 mg/kg NTIS** OTS0528342

4-Nitrophenyl isocyanate Usage And Synthesis

Chemical Properties

yellow crystalline solid

Uses

4-Nitrophenyl isocyanate is used as pharmaceutical intermediates. 4-Nitrophenyl isocyanate was used in the synthesis of 2-(5-methyl-3,4-diphenyl-1H-pyrrole-2-carbonyl)-N-(4-nitrophenyl)hydrazinecarboxamide.

Safety Profile

A poison by intraperitoneal route.Moderately toxic by ingestion. When heated todecomposition it emits toxic vapors of NOx.

Purification Methods

Distil the isocyanate in a vacuum, and/or recrystallise it from pet ether (b 28-38o), *C6H6/pet ether (m 58o) or CCl4 (m 56-57o). [Beilstein 12 H 725, 12 III 1630.]

4-Nitrophenyl isocyanate Preparation Products And Raw materials

• Raw materials: Hydrochloric acid-->4-Nitroaniline