1-Acetyl-6-bromo-1,2,3,4-tetrahydroquinoline

HCID 89622

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Basic information

CAS: 22190-40-5
Standard SMILES: CC(=O)N1CCCc2cc(Br)ccc21
InChIKey: BHQKJGRWIRTURN-UHFFFAOYSA-N
Molecular formula: C11H12BrNO
Average molar mass: 254.12 g/mol
Monoisotopic mass: 253.01023

Names & identifiers

Preferred name: 1-Acetyl-6-bromo-1,2,3,4-tetrahydroquinoline
IUPAC: 1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)ethanone
English name: 1-acetyl-6-bromo-1,2,3,4-tetrahydroquinoline
Molecular formula: C11H12BrNO
Molecular weight: 254.12

Names & synonyms

1-Acetyl-6-bromo-1,2,3,4-tetrahydroquinolineEINECS 244-829-8MGD3GNJ2391-acetyl-6-bromo-1,2,3,4-tetrahydro-quinolineDTXSID701767261-(6-BROMO-3,4-DIHYDRO-1(2H)-QUINOLINYL)ETHANONEETHANONE, 1-(6-BROMO-3,4-DIHYDRO-1(2H)-QUINOLINYL)-RefChem:74821DTXCID2099217244-829-822190-40-51-(6-Bromo-3,4-dihydroquinolin-1(2H)-yl)ethanone

Show more names

1-acetyl-6-bromo-1,2,3,4-tetrahydroquinoline(SALTDATA: FREE)

1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)ethanoneMFCD056648191-(6-bromo-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-oneQuinoline, 1-acetyl-6-bromo-1,2,3,4-tetrahydro-UNII-MGD3GNJ239SCHEMBL696174SCHEMBL696175SCHEMBL698648

Database identifiers

CAS: 22190-40-5
PubChem CID: 89622
DTXSID: DTXSID70176726
UNII: MGD3GNJ239
EC Number: 244-829-8
Nikkaji: J285.459G

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 231

Physicochemical properties

Boiling point: 436.5 · 436.5±45.0 °C(Predicted)
Density: 1.454 · 1.454±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 0.31 · 0.31±0.20(Predicted)
Appearance: White to off-white Solid
FDA UNII: 3 GNJ239 · MGD3GNJ239
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Downstream products

BUTTPARK 52\04-72

Suppliers34 total

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

Aladdin Scientific[email protected]

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Compound notes

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