CAS 629-08-3|CAS 1885-40-1|heptanenitrile|heptanenitrile|n-Heptanoic acid nitrile|HEPTANONITRILE|Heptanenitrile|正庚腈|Heptanonitrile|Enanthonitrile|庚腈

InChI=1S/C7H13N/c1-2-3-4-5-6-7-8/h2-6H2,1H3

SDAXRHHPNYTELL-UHFFFAOYSA-N

H Acceptors

H Donor

LogD (pH = 5.5)

2.3134136

LogD (pH = 7.4)

2.3134136

Log P

2.3134136

Molar Refractivity

34.6539

Polarizability

13.471129

Polar Surface Area

23.79

Rotatable Bonds

Lipinski's Rule of Five

true

IUPAC Traditional name

n-Heptanoic acid nitrileHEPTANONITRILEHeptanenitrile正庚腈HeptanonitrileEnanthonitrile庚腈

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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

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98%

CH3(CH2)5CN

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05211552

MP Biomedicals Rare Chemical collection

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Names and Identifiers

IUPAC name

heptanenitrile

IUPAC Traditional name

heptanenitrile

Synonyms

n-Heptanoic acid nitrileHEPTANONITRILEHeptanenitrile正庚腈HeptanonitrileEnanthonitrile庚腈

Registration numbers

PubChem CID

PubChem SID

Beilstein Number

EC Number

MDL Number

CAS Number

Molecule Details

MP Biomedicals Rare Chemical collection

References

PubChem Literature

No Data Available

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Bioactivity

PubChem BioAssay

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

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

RID/ADR

UN 1993 3/PG 3

Safety Statements

26-36

9-23-36/37

German water hazard class

UN Number

1993

UN1992

European Hazard Symbols

Harmful (Xn)

Harmful (X)

Hazard Class

GHS Hazard statements

H226-H302-H312-H315-H319-H332-H335

H331-H302-H312-H226

Personal Protective Equipment

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

Risk Statements

20/21/22-36/37/38

20/21/22

Packing Group

III

GHS Precautionary statements

P261-P280-P305+P351+P338

P210-P241-P303+P361+P353-P302+P352-P405-P501A

GHS Signal Word

Warning

TSCA Listed

是

Certificate of Analysis

Molecule

ID:74504