ChemicalBook--->CAS DataBase List--->109-96-6

109-96-6

109-96-6 Structure

109-96-6 Structure
IdentificationMore
[Name]

3-Pyrroline
[CAS]

109-96-6
[Synonyms]

2,5-DIHYDRO-1H-PYRROLE
2,5-DIHYDROPYRROLE
3-PYRROLINE
DIHYDROPYRROLE
2,5-dihydro-1h-pyrrol
2,5-dihydro-H-pyrrole
2,5-Dihydropyrrol
delta3-Pyrroline
3-PYRROLINE TECH ABOUT 70%
3-Pyrroline95%
2,5-Dihydro-1H-pyrrole
3-Pyrroline HCl
3-Pyrroline, tech. 85% (remainder pyrrolidine)
3-Pyrroline (contains Pyrrolidine)
[EINECS(EC#)]

203-723-1
[Molecular Formula]

C4H7N
[MDL Number]

MFCD00005213
[Molecular Weight]

69.11
[MOL File]

109-96-6.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to light yellow liquid
[Boiling point ]

90-91 °C/748 mmHg (lit.)
[density ]

0.91 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.46(lit.)
[Fp ]

−1 °F
[storage temp. ]

Keep Cold
[solubility ]

soluble in Alcohol,Chloroform,Ether.
[form ]

clear liquid
[pka]

pK1:-0.27(+1) (25°C)
[color ]

Colorless to Light yellow to Light orange
[Specific Gravity]

0.902
[Water Solubility ]

Miscible
[Sensitive ]

Air Sensitive & Hygroscopic
[Merck ]

14,8017
[BRN ]

103173
[InChI]

1S/C4H7N/c1-2-4-5-3-1/h1-2,5H,3-4H2
[InChIKey]

JVQIKJMSUIMUDI-UHFFFAOYSA-N
[SMILES]

C1NCC=C1
[CAS DataBase Reference]

109-96-6(CAS DataBase Reference)
[NIST Chemistry Reference]

1H-Pyrrole, 2,5-dihydro-(109-96-6)
[EPA Substance Registry System]

109-96-6(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Corrosion (GHS05)Exclamation Mark (GHS07)
GHS02,GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H225-H302+H332-H314
[Precautionary statements ]

P210-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
[Hazard Codes ]

F+,C,F,Xi
[Risk Statements ]

R12:Extremely Flammable.
R20/22:Harmful by inhalation and if swallowed .
R35:Causes severe burns.
R34:Causes burns.
R11:Highly Flammable.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 2733 3/PG 2
[WGK Germany ]

3
[F ]

3-10-19-23
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29339900
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Flam. Liq. 2
Skin Corr. 1A
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Hydrochloric acid-->Diethyl ether-->ZINC-->Pyrrole
[Preparation Products]

Benzyl 3-pyrroline-1-carboxylate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Pyrroline(109-96-6).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to light yellow liquid
[Uses]

3-Pyrroline is suitable for use in a study to investigate the core-level binding energies of simple unsaturated organic molecules bonded to the Si(001) surface by X-ray photoelectron spectroscopy (XPS). It may be used in the synthesis of renin inhibitors and vasodilators.
[Uses]

3-Pyrroline is suitable for use in a study to investigate the core-level binding energies of simple unsaturated organic molecules bonded to the Si(001) surface by X-ray photoelectron spectroscopy (XPS). It may be used in the synthesis of renin inhibitors2 and vasodilators.
[Definition]

ChEBI: 3-pyrroline is a pyrroline.
[General Description]

Various 3-pyrrolines (2,5-dihydropyrroles) have been synthesized by two-step reaction sequence of alkylation/alkylidene carbene CH-insertion reaction. Synthesis of 3-pyrroline has been reported by employing cis-1,4-dichloro-2-butene as starting reagent.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Pyrroline(109-96-6)MS
3-Pyrroline(109-96-6)1HNMR
3-Pyrroline(109-96-6)13CNMR
3-Pyrroline(109-96-6)IR1
3-Pyrroline(109-96-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Pyrroline, 97%(109-96-6)
[Alfa Aesar]

3-Pyrroline, tech. 85% (remainder pyrrolidine)(109-96-6)
[Sigma Aldrich]

109-96-6(sigmaaldrich)
[TCI AMERICA]

3-Pyrroline  (contains Pyrrolidine),>70.0%(GC)(109-96-6)
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