CAS 4165-61-1|(2H5)aniline|(2H5)aniline|ANILINE-2,3,4,5,6-D5|苯胺-2,3,4,5,6-d5|Aniline-2,3,4,5,6-d5|Phenyl-d5 amine|Aniline-d5|Benzen-2,3,4,5,6...

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

PAYRUJLWNCNPSJ-UHFFFAOYSA-N

H Acceptors

H Donor

LogD (pH = 5.5)

1.0882844

LogD (pH = 7.4)

1.143567

Log P

1.1443199

Molar Refractivity

30.7584

Polarizability

11.519636

Polar Surface Area

26.02

Rotatable Bonds

Lipinski's Rule of Five

true

IUPAC Traditional name

ANILINE-2,3,4,5,6-D₅苯胺-2,3,4,5,6-d5Aniline-2,3,4,5,6-d5Phenyl-d5 amineAniline-d5Benzen-2,3,4,5,6-d5-amine2,3,4,5,6-PentadeuteroanilineAniline-d5苯胺-d5

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P273-P280

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02520329

C₆D₅NH₂
Purity: 99% D atom.

175692

Packaging
1, 5 g in ampule
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

A662477

Deuterated aniline

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Data Source

Commercial Catalog

Academic Data

Names and Identifiers

IUPAC Traditional name

(²H₅)aniline

IUPAC name

(²H₅)aniline

Synonyms

ANILINE-2,3,4,5,6-D₅苯胺-2,3,4,5,6-d5Aniline-2,3,4,5,6-d5Phenyl-d5 amineAniline-d5Benzen-2,3,4,5,6-d5-amine2,3,4,5,6-PentadeuteroanilineAniline-d5苯胺-d5

Registration numbers

CAS Number

Beilstein Number

EC Number

MDL Number

PubChem SID

2485052316209292224867858

PubChem CID

123211

Molecule Details

MP Biomedicals

02520329

C₆D₅NH₂
Purity: 99% D atom.

Sigma Aldrich

175692

TRC

A662477

Deuterated aniline

References

PubChem Literature

No Data Available

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Bioactivity

PubChem BioAssay

German water hazard class

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

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

Hazardous to the aquatic environment

Acute hazard, category1

Chronic hazard, categories 1,2

UN Number

1547

Packing Group

Explode Limits

11 %

RID/ADR

UN 1547 6.1/PG 2

GHS Signal Word

Warning

Safety Statements

28-36/37-45-61

Personal Protective Equipment

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

European Hazard Symbols

Toxic (T)

Nature polluting (N)

GHS Hazard statements

H302-H312-H332-H351-H400

Risk Statements

20/21/22-40-48/23/24/25-50

Storage Temperature

2-8°C

Hazard Class

6.1

Mass Shift

M+5

Vapor Density

3.22 (184 °C, vs air)

Vapor Pressure

0.7 mmHg ( 25 °C)

GHS Precautionary statements

Molecule

ID:106243