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About This Item
Linear Formula:
ClC6H4NH2
CAS Number:
Molecular Weight:
127.57
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
203-401-0
Beilstein/REAXYS Number:
471359
MDL number:
Assay:
98%
Form:
chips, crystals or chunks
vapor density
4.4 (vs air)
Quality Segment
vapor pressure
0.15 mmHg ( 25 °C)
assay
98%
form
chips, crystals or chunks
bp
232 °C (lit.)
mp
67-70 °C (lit.)
SMILES string
Nc1ccc(Cl)cc1
InChI
1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
InChI key
QSNSCYSYFYORTR-UHFFFAOYSA-N
Application
4-Chloroaniline can undergo:
- Allylation in the presence of ultrasonication to form N-allyl-4-chloroaniline, a precursor for bioactive compounds containing indole and dihydroindole nucleus.
- Povarov reaction with cyclopentadiene to form C-2 aliphatic substituted tetrahydroquinolines.
- Mannich reaction with aldehydes and cyclic ketones to form β-amino carbonyl compounds.
- Nitration to form 4-chloro-3-nitroaniline in the presence of guanidinium nitrate.
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Danger
Hazard Classifications
Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Carc. 1B - Skin Sens. 1
Storage Class
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
wgk
WGK 3
flash_point_f
248.0 °F - closed cup
flash_point_c
120.0 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Regulatory Information
危险化学品
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Related Content
Factorial study to assess an ultrasonic methodology for the allylation of 4-chloroaniline
Nascimento LFS and Fernandes JPS
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Highly efficient one-pot, three-component Mannich reaction catalysed by boric acid and glycerol in water with major `syn?diastereoselectivity
Mukhopadhyay C, et al.
Tetrahedron Letters, 50(29), 4246-4250 (2009)
Lanthanide (III)-catalyzed multi-component aza-Diels-Alder reaction of aliphatic N-arylaldimines with cyclopentadiene.
Powell DA and Batey RA.
Tetrahedron Letters, 44(41), 7569-7573 (2003)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| C22415-100G | 04061833475461 |
| C22415-500G | 04061833475478 |
| C22415-5G | 04061833475485 |


