1,2,3,4-Tetrahydroquinoline-1-carbonyl chloride

HCID 13591069

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Basic information

CAS: 2616-50-4
Standard SMILES: O=C(Cl)N1CCCc2ccccc21
InChIKey: KRGMMKVSHXVQCM-UHFFFAOYSA-N
Molecular formula: C10H10ClNO
Average molar mass: 195.64 g/mol
Monoisotopic mass: 195.04509162

Names & identifiers

Preferred name: 1,2,3,4-Tetrahydroquinoline-1-carbonyl chloride
IUPAC: 3,4-dihydro-2H-quinoline-1-carbonyl chloride

Names & synonyms

1,2,3,4-Tetrahydroquinoline-1-carbonyl ChlorideRefChem:410607896-444-52616-50-41(2H)-Quinolinecarbonyl chloride, 3,4-dihydro-3,4-Dihydroquinoline-1(2H)-carbonyl chloride3,4-dihydro-2h-quinoline-1-carbonyl chloridestarbld0043635SCHEMBL330273SCHEMBL30592391DTXSID10544546KRGMMKVSHXVQCM-UHFFFAOYSA-N

Show more names

CAA61650AKOS017514328DA-075813,4-Dihydroquinolin-1(2H)-carbonyl chlorideG447231,2,3,4-tetrahydroquinolin-1-carbonyl chlorideEN300-1721959

Database identifiers

CAS: 2616-50-4
PubChem CID: 13591069
DTXSID: DTXSID10544546
EC Number: 896-444-5
Nikkaji: J3.765.573B

Properties

Computed structural propertiesFilling in

XLogP: 2.7
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 207

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.