CAS 22190-35-8 6-Bromo-1,2,3,4-tetrahydroquinoline (HCID 4715029)

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Basic information

CAS: 22190-35-8
Standard SMILES: Brc1ccc2c(c1)CCCN2
InChIKey: WEHMHBSITKCQBY-UHFFFAOYSA-N
Molecular formula: C9H10BrN
Average molar mass: 212.09 g/mol
Monoisotopic mass: 210.99966142

Names & identifiers

Preferred name: 6-Bromo-1,2,3,4-tetrahydroquinoline
IUPAC: 6-bromo-1,2,3,4-tetrahydroquinoline
English name: 6-Bromo-1,2,3,4-tetrahydroquinoline
Molecular formula: C9H10BrN
Molecular weight: 212.09

Names & synonyms

6-bromo-1,2,3,4-tetrahydroquinoline22190-35-8DTXSID80405817RefChem:307292DTXCID90356669800-320-86-Bromo-1,2,3,4-tetrahydro-quinolineMFCD04966989QUINOLINE, 6-BROMO-1,2,3,4-TETRAHYDRO-SCHEMBL1556861STK735137AKOS000161825

Show more names

TIMTEC-BB SBB013968UKRORGSYN-BB BBV-052938206-Bromo-1,2,3,4-Tetrahydroquinoline6-BROMO-1,2,3,4-TETRAHYDROQUINOLINE，97% min6-broMo-1,2,3,4-tetrahydroquinoline hydrocholide6-BROMO-1,2,3,4-TETRAHYDRO-QUINOLINE HCL 6-BROMO-1,2,3,4-TETRAHYDRO-QUINOLINE

CS-W0197486-bromo-1,2,3,4-tetra-hydroquinolineEN300-41796Z283683538AM20060439BB 0259197FT-0648492A878656

Database identifiers

CAS: 22190-35-8
PubChem CID: 4715029
DTXSID: DTXSID80405817
EC Number: 800-320-8
Nikkaji: J306.173F

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 138

Physicochemical properties

Boiling point: 303.1 · 303.1±31.0 °C(Predicted)
Density: 1.428 · 1.428±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 4.26 · 4.26±0.20(Predicted)
form: low melting solid
color: Light yellow to brown
InChI: InChI=1S/C9H10BrN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6,11H,1-2,5H2
InChIKey: WEHMHBSITKCQBY-UHFFFAOYSA-N
SMILES: N1C2=C(C=C(Br)C=C2)CCC1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HazardClass: IRRITANT
HS Code: 2933499090 · 2933499090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.