ChemicalBook--->CAS DataBase List--->34784-02-6

34784-02-6

34784-02-6 Structure

34784-02-6 Structure
IdentificationBack Directory
[Name]

3-BROMOISOQUINOLINE
[CAS]

34784-02-6
[Synonyms]

3-BROMOISOQUINOLINE
Isoquinoline, 3-bromo-
3-BROMOISOQUINOLINE 97%
3-Bromoisoquinoline ,99%
3-Bromo-2-azanaphthalene
3-BROMOISOQUINOLINE ISO 9001:2015 REACH
[Molecular Formula]

C9H6BrN
[MDL Number]

MFCD00234479
[MOL File]

34784-02-6.mol
[Molecular Weight]

208.05
Chemical PropertiesBack Directory
[Melting point ]

63-64 °C
[Boiling point ]

316.3±15.0 °C(Predicted)
[density ]

1.564±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

solid
[pka]

1.84±0.30(Predicted)
[Appearance]

White to light brown Solid
[InChI]

1S/C9H6BrN/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6H
[InChIKey]

ZWJYXJDEDLXUHU-UHFFFAOYSA-N
[SMILES]

BrC1=CC2=C(C=N1)C=CC=C2
Hazard InformationBack Directory
[Chemical Properties]

Yellow powder
[Synthesis]

Isoquinoline

119-65-3

3-BROMOISOQUINOLINE

34784-02-6

To a stirred solution of isoquinoline (24 g, 186 mmol) in acetic acid (50 mL) was slowly added N-bromosuccinimide (NBS, 36.2 g, 204.6 mmol) at room temperature. The reaction mixture was heated to 100 °C and kept at this temperature for the reaction overnight. Upon completion of the reaction, the mixture was cooled to room temperature and subsequently concentrated under reduced pressure to remove the solvent. The resulting crude product was purified by fast column chromatography (eluent: 5% ethyl acetate/hexane) to give 3-bromoisoquinoline (9.2 g, 23.8% yield) as an oil.

[References]

[1] Patent: US2013/178457, 2013, A1. Location in patent: Paragraph 0219
Safety DataBack Directory
[Symbol(GHS) ]

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

Danger
[Hazard statements ]

H302-H315-H318-H335
[Precautionary statements ]

P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
[Hazard Codes ]

Xn
[Risk Statements ]

22-36/37/38
[Safety Statements ]

26-36/37/39
[WGK Germany ]

3
[HS Code ]

29334900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Ethyl acetate-->Methanol-->Dichloromethane-->Petroleum ether-->Sodium nitrite-->Hydrogen bromide-->Isoquinolin-3-amine-->1,2,3,4-Tetrahydroisoquinoline-1,3-dione-->Isoquinoline
[Preparation Products]

Isoquinoline-3-sulfonyl chloride
Spectrum DetailBack Directory
[Spectrum Detail]

3-BROMOISOQUINOLINE(34784-02-6)1HNMR
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