CAS 108-42-9|3-chloroaniline|3-Chloroaniline|3-chloroaniline|1-amino-3-chlorobenzene|3-氯苯胺|3-Chloroaniline

InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2

PNPCRKVUWYDDST-UHFFFAOYSA-N

H Acceptors

H Donor

LogD (pH = 5.5)

1.744329

LogD (pH = 7.4)

1.7483135

Log P

1.7483646

Molar Refractivity

35.5632

Polarizability

13.330082

Polar Surface Area

26.02

Rotatable Bonds

Lipinski's Rule of Five

true

3-Chloroaniline1-amino-3-chlorobenzene3-氯苯胺3-Chloroaniline

IUPAC Traditional name

Click here to submit data

C22407

Packaging
5, 100, 500 g in glass bottle

35824

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Click here to submit data

Names and Identifiers

Synonyms

3-Chloroaniline1-amino-3-chlorobenzene3-氯苯胺3-Chloroaniline

IUPAC Traditional name

3-chloroaniline

IUPAC name

3-chloroaniline

Registration numbers

CAS Number

108-42-9

MDL Number

MFCD00007765

PubChem SID

2489247916207625224861962

Beilstein Number

EC Number

PubChem CID

Merck Index

Molecule Details

C22407

Packaging
5, 100, 500 g in glass bottle

35824

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

95-96°C/11mm

95-96 °C/11 mmHg(lit.)

230°C

Melting Point

-11°C

-11--9 °C(lit.)

-10°C

Vapor Pressure

1 mmHg ( 63.5 °C)

PESTANAL®, analytical standard

European Hazard Symbols

Personal Protective Equipment

German water hazard class

GHS Hazard statements

Molecule

ID:89372