3-Chloro-N-phenylaniline

Basic Information

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CAS Number

101-17-7

Molecular Formula

C12H10ClN

Molecular Weight

203.67 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

340 °C

Flash Point

147.4 °C

Refractive Index

1.6513 (estimate)

SMILES

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C1=CC=C(C=C1)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C12H10ClN/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,14H

InChIKey

OHHIBZKYXJDQEU-UHFFFAOYSA-N

LogP

4.083600000000002

Topological Polar Surface Area

12.03 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

166

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

UNII-NPC5U6JP9A
CS-0144538
3-chloro-N-phenyl-aniline
SB78319
3-Cl-DPA
Oprea1_486499
OHHIBZKYXJDQEU-UHFFFAOYSA-
NPC5U6JP9A
101-17-7
N-(3-Chlorophenyl)-N-phenylamine
SCHEMBL3951892
C77692
W-108923
m-Chlorodiphenylamine
MFCD00000590
3-chloro-n-phenylaniline
3-Chlorodiphenylamine; 3-Chloro-N-phenylaniline
NS00023034
N-phenyl-3-chloraniline
A800345
DTXSID70143615
InChI=1/C12H10ClN/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,14H
3-Chloro-N-phenyl-benzenamine
HY-131948
Benzenamine, 3-chloro-N-phenyl-
Diphenylamine, 3-chloro-
3-Chlorodiphenylamine
N-(3-Chlorophenyl)-N-phenylamine #
Oprea1_488154
3-Chloro-N-phenylbenzenamine
N-phenyl-3-chloroaniline

MDL Number

MFCD00000590

Customs Code

2921440000

FAQ

What regulatory guidelines apply to 3-Chloro-N-phenylaniline (CAS: 101-17-7)?

3-Chloro-N-phenylaniline (CAS: 101-17-7) falls under the regulatory guidelines of the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), including classification as a skin and eye irritant. It is also regulated under the REACH regulations in the European Union, which imposes restrictions and reporting requirements. Additionally, the FDA and EPA have specific requirements for its handling and disposal, particularly due to its potential environmental impact.

Are there alternatives to 3-Chloro-N-phenylaniline (CAS: 101-17-7) in synthesis?

There are several alternatives to 3-Chloro-N-phenylaniline (CAS: 101-17-7) in synthesis, including 4-chloro-N-phenylaniline and 2-chloro-N-phenylaniline. These analogs can serve as suitable substitutes depending on the specific application. Common alternative reagents for similar reactions include 2-chloro-4-nitroaniline and 3-chloro-4-nitroaniline, which may offer better reactivity or fewer environmental concerns.

What is the market or research trend for 3-Chloro-N-phenylaniline (CAS: 101-17-7)?

The market for 3-Chloro-N-phenylaniline (CAS: 101-17-7) is largely driven by its use as an intermediate in the synthesis of various pharmaceuticals and dyes. Recent research trends focus on developing safer alternatives due to its environmental and health concerns. The trend also includes exploring its use in niche applications such as agrochemicals and functional materials, where it can offer unique properties.

How should waste containing 3-Chloro-N-phenylaniline (CAS: 101-17-7) be handled?

Waste containing 3-Chloro-N-phenylaniline (CAS: 101-17-7) should be collected in a sealed container and stored away from incompatible substances. It should be disposed of through professional waste disposal services, which often involve incineration or chemical treatment to neutralize any potential hazards. Environmental protection measures should include proper containment to prevent soil or water contamination, and adherence to local and national regulations is essential.