8.22256

Aniline

for synthesis

• Synonyme(s) : Aniline, Aminobenzene, Phenylamine, Benzenamine
• Formule empirique (notation de Hill) : C₆H₇N
• Numéro CAS: 62-53-3
• Poids moléculaire : 93.13
• UNSPSC Code: 12352116
• EC Index Number: 200-539-3
• NACRES: NA.22
• MDL number: MFCD00007629
• Assay: ≥99.0% (GC)
• Grade: synthesis grade
• Bp: 184 °C/1013 hPa
• Vapor pressure: 0.5 hPa ( 20 °C)

Propriétés

• grade: synthesis grade
• Quality Segment: 200
• vapor pressure: 0.5 hPa ( 20 °C)
• assay: ≥99.0% (GC)
• form: liquid
• autoignition temp.: 540 °C
• potency: 840 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 1.2-11 % (v/v)
• dilution: (for synthesis)
• pH: 8.8 (20 °C, 36 g/L in H₂O)
• bp: 184 °C/1013 hPa
• mp: -6.2 °C
• transition temp: flash point 76 °C
• solubility: 36 g/L
• density: 1.02 g/cm³ at 20 °C
• storage temp.: 2-30°C
• SMILES string: Nc1ccccc1
• InChI: 1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
• InChI key: PAYRUJLWNCNPSJ-UHFFFAOYSA-N

Description

Application

• One pot conversion of phenols and anilines to aldehydes and ketones: Exploiting α gem boryl carbanions, this study offers a method compatible with a diverse range of phenols and anilines, facilitating simpler synthetic pathways in organic chemistry (Das et al., 2024).
• In-silico-assisted derivatization of triarylboranes: This research discusses a catalytic method for the reductive alkylation of aniline-derived amino acids, improving functional-group compatibility in peptide modification (Hisata et al., 2024).
• C–heteroatom coupling with electron-rich aryls: Utilizing nickel catalysis and light, this method enhances the synthesis of anilines and aryl ethers, contributing to more efficient organic synthesis processes (Cornella et al., 2024).

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)
Density (d 20 °C/ 4 °C): 1.020 - 1.022
Identity (IR): passes test

Informations sur la sécurité

• Pictogrammes: GHS06,GHS08,GHS05,GHS09
• Mot-clé: Danger
• Codes de danger: H301 + H311 + H331,H317,H318,H341,H351,H372,H410
• Mentions de précaution: P273 - P280 - P301 + P310 - P302 + P352 + P312 - P304 + P340 + P311 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Carc. 2 - Eye Dam. 1 - Muta. 2 - Skin Sens. 1 - STOT RE 1
• Organes cibles: Blood
• Classe de stockage: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• Que se passe-t-il ?: WGK 3
• Point d'éclair (°F): 158.0 °F - closed cup
• Point d'éclair (°C): 70 °C - closed cup