8.22256
Aniline
for synthesis
别名:
Aniline, Aminobenzene, Phenylamine, Benzenamine
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关于此项目
经验公式（希尔记法）:
C6H7N
化学文摘社编号:
分子量:
93.13
UNSPSC Code:
12352116
EC Index Number:
200-539-3
NACRES:
NA.22
MDL number:
Assay:
≥99.0% (GC)
Grade:
synthesis grade
Bp:
184 °C/1013 hPa
Vapor pressure:
0.5 hPa ( 20 °C)
grade
synthesis grade
Quality Segment
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
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
Density (d 20 °C/ 4 °C): 1.020 - 1.022
Identity (IR): passes test
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signalword
Danger
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
存储类别
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