ChemicalBook--->CAS DataBase List--->10603-45-9

10603-45-9

10603-45-9 Structure

10603-45-9 Structure
IdentificationBack Directory
[Name]

3-BroMo-1-Methyl-pyrrolidine
[CAS]

10603-45-9
[Synonyms]

3-BroMo-1-Methyl-pyrrolidine
Pyrrolidine, 3-bromo-1-methyl-
3-Bromo-1-methylpyrrolidine,97%
[Molecular Formula]

C5H10BrN
[MDL Number]

MFCD12755877
[MOL File]

10603-45-9.mol
[Molecular Weight]

164.044
Chemical PropertiesBack Directory
[Boiling point ]

78-80℃ (40 Torr)
[density ]

1.361 g/mL at 25 °C
[Fp ]

54 °C
[refractive index ]

1.4910
[storage temp. ]

2-8°C
[form ]

Liquid
[pka]

8.53±0.40(Predicted)
[color ]

Yellow to brown
[Sensitive ]

Moisture Sensitive
[InChI]

InChI=1S/C5H10BrN/c1-7-3-2-5(6)4-7/h5H,2-4H2,1H3
[InChIKey]

ZHUYTHOKJZSZQJ-UHFFFAOYSA-N
[SMILES]

N1(C)CCC(Br)C1
Safety DataBack Directory
[Hazard Codes ]

F,C
[Risk Statements ]

11-34
[Safety Statements ]

26-36/37/39-45
[RIDADR ]

UN 2924 8(3) / PGIII
[WGK Germany ]

WGK 3
[HazardClass ]

3
[PackingGroup ]

[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Eye Irrit. 2
Flam. Liq. 3
Skin Corr. 1B
Questions And AnswerBack Directory
[Application]

3-Bromo-1-methylpyrrolidine is a colorless liquid and an important pharmaceutical intermediate. It can be used to prepare mGluR5 receptor allosteric modulators.
Spectrum DetailBack Directory
[Spectrum Detail]

3-BroMo-1-Methyl-pyrrolidine(10603-45-9)1HNMR
3-BroMo-1-Methyl-pyrrolidine(10603-45-9)13CNMR
Hazard InformationBack Directory
[Synthesis]

3-Hydroxy-1-methylpyrrolidine (5 g) was added in a 100 ml single-necked flask, n-hexane (50 ml) was cooled in an ice bath for 10 min, phosphorus tribromide (16.9 g) was added under cooling, and the temperature was raised to reflux for 2 h. Cooling was car
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