CAS 43036-06-2|3-(1H-pyrrol-1-yl)propanenitrile|3-(1H-pyrrol-1-yl)propanenitrile|3-(pyrrol-1-yl)propanenitrile|1-吡咯丙腈|N-2-氰乙基吡咯|1-(2-Cyanoethyl)pyrrole|1-Pyrrolepropionitrile

Molecular Formula

C₇H₈N₂

Molecular Mass

120.15182

Exact Mass

120.06874827

InChI

InChI=1S/C7H8N2/c8-4-3-7-9-5-1-2-6-9/h1-2,5-6H,3,7H2

InChIKey

IYOLJLGYJMJLSU-UHFFFAOYSA-N

Canonic Smiles

N#CCCn1cccc1

Isomeric Smiles

N#CCCn1cccc1

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.0497509

LogD (pH = 7.4)

1.0497509

Log P

1.0497509

Molar Refractivity

35.4768

Polarizability

13.399359

Polar Surface Area

28.72

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

96527

IUPAC name

3-(1H-pyrrol-1-yl)propanenitrile

Synonyms

3-(1H-pyrrol-1-yl)propanenitrile1-吡咯丙腈N-2-氰乙基吡咯1-(2-Cyanoethyl)pyrrole1-Pyrrolepropionitrile

IUPAC Traditional name

3-(pyrrol-1-yl)propanenitrile

CAS Number

43036-06-2

MDL Number

MFCD00003092

PubChem SID

24893134162088889

Product Information

Purity

97%

≥99%

95+%

Empirical Formula (Hill Notation)

C7H8N2

Physical Property

Flash Point

235.4 °F

113 °C

Refractive Index

n20/D 1.51(lit.)

Boiling Point

132-133 °C/10 mmHg(lit.)

Density

1.048 g/mL at 25 °C(lit.)

Safety Information

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

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Warning

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

26-37/39

P261-P280-P305+P351+P338

Harmful (Xn)

20/21/22-36/37/38

H302-H312-H315-H319-H332-H335

No Data Available

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No Data Available

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Sigma Aldrich

C91352

Packaging
25 g in glass bottle

No Data Available

Click here to submit data

Academic Data

PubChem

96527

IUPAC name

3-(1H-pyrrol-1-yl)propanenitrile

Synonyms

3-(1H-pyrrol-1-yl)propanenitrile1-吡咯丙腈N-2-氰乙基吡咯1-(2-Cyanoethyl)pyrrole1-Pyrrolepropionitrile

IUPAC Traditional name

3-(pyrrol-1-yl)propanenitrile

CAS Number

MDL Number

PubChem SID

C91352

Packaging
25 g in glass bottle

No Data Available

Click here to submit data

Product Information

Purity

97%

≥99%

95+%

Empirical Formula (Hill Notation)

C7H8N2

Physical Property

Flash Point

235.4 °F

113 °C

Refractive Index

n20/D 1.51(lit.)

Boiling Point

132-133 °C/10 mmHg(lit.)

Density

1.048 g/mL at 25 °C(lit.)

Safety Information

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

Download link

Warning

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

26-37/39

P261-P280-P305+P351+P338

Harmful (Xn)

20/21/22-36/37/38

H302-H312-H315-H319-H332-H335

Molecule

ID:101555