7-Chloro-1,2,3,4-tetrahydroquinoline

HCID 13047366

Notes Reactions

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Basic information

CAS: 90562-35-9
Standard SMILES: Clc1ccc2c(c1)NCCC2
InChIKey: WVEIRFXVLXAKLS-UHFFFAOYSA-N
Molecular formula: C9H10ClN
Average molar mass: 167.63 g/mol
Monoisotopic mass: 167.050177

Names & identifiers

Preferred name: 7-Chloro-1,2,3,4-tetrahydroquinoline
IUPAC: 7-chloro-1,2,3,4-tetrahydroquinoline
English name: 7-Chloro-1,2,3,4-tetrahydroquinoline
Molecular formula: C9H10ClN
Molecular weight: 167.64

Names & synonyms

7-Chloro-1,2,3,4-tetrahydroquinoline90562-35-9DTXSID10516324RefChem:1074375DTXCID20467131MFCD085442687-chloro-1,2,3,4-tetrahydro-quinolineSCHEMBL3873031VT1294AKOS016006017MB06330AS-54755

Show more names

SY118852CS-0040537EN300-175050Quinoline, 7-chloro-1,2,3,4-tetrahydro-FT-0708876A922425SCHEMBL208849SCHEMBL208850

Database identifiers

CAS: 90562-35-9
PubChem CID: 13047366
DTXSID: DTXSID10516324
Nikkaji: J3.680.328B

Properties

Computed structural properties

XLogP: 2.9
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: 273 · 273.0±29.0 °C(Predicted)
Density: 1.162 · 1.162±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 4.26 · 4.26±0.20(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
HS Code: 2933491090 · 2933491090