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Merck
CN

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:
62-53-3
分子量:
93.13
UNSPSC Code:
12352116
EC Index Number:
200-539-3
NACRES:
NA.22
MDL number:
MFCD00007629
Grade:
synthesis grade
Assay:
≥99.0% (GC)
Bp:
184 °C/1013 hPa
Vapor pressure:
0.5 hPa ( 20 °C)

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产品名称

Aniline, for synthesis

SMILES string

Nc1ccccc1

InChI

1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2

InChI key

PAYRUJLWNCNPSJ-UHFFFAOYSA-N

grade

synthesis grade

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

Quality Level

200

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Analysis Note

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

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).

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

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