8.22256

Aniline

for synthesis

• Synonym(s): Aniline, Aminobenzene, Phenylamine, Benzenamine
• Empirical Formula (Hill Notation): C₆H₇N
• CAS Number: 62-53-3
• Molecular Weight: 93.13
• MDL number: MFCD00007629
• UNSPSC Code: 12352116
• EC Index Number: 200-539-3
• NACRES: NA.22
• Assay: ≥99.0% (GC)
• bp: 184 °C/1013 hPa
• vapor pressure: 0.5 hPa ( 20 °C)

Properties

• vapor pressure: 0.5 hPa ( 20 °C)
• Quality Level: 200
• Assay: ≥99.0% (GC)
• form: liquid
• autoignition temp.: 540 °C
• potency: 840 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 1.2-11 % (v/v)
• 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

Safety Information

• Pictograms: GHS06,GHS08,GHS05,GHS09
• Signal Word: Danger
• Hazard Statements: H301 + H311 + H331,H317,H318,H341,H351,H372,H410
• Precautionary Statements: 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
• Target Organs: Blood
• Storage Class Code: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• WGK: WGK 3
• Flash Point(F): 158.0 °F - closed cup
• Flash Point(C): 70 °C - closed cup