3,4-Dihydroisoquinoline-2(1H)-carbonyl chloride

HCID 21890571

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Basic information

CAS: 199480-42-7
Standard SMILES: O=C(Cl)N1CCc2ccccc2C1
InChIKey: ICQJONGSPSQPOH-UHFFFAOYSA-N
Molecular formula: C10H10ClNO
Average molar mass: 195.64 g/mol
Monoisotopic mass: 195.04509162

Names & identifiers

Preferred name: 3,4-Dihydroisoquinoline-2(1H)-carbonyl chloride
IUPAC: 3,4-dihydro-1H-isoquinoline-2-carbonyl chloride
English name: 2(1H)-Isoquinolinecarbonylchloride,3,4-dihydro-(9CI)
Molecular formula: C10H10ClNO
Molecular weight: 195.65

Names & synonyms

199480-42-73,4-dihydroisoquinoline-2(1H)-carbonyl chlorideDTXSID80619533RefChem:271069DTXCID905702871,2,3,4-tetrahydroisoquinoline-2-carbonyl chloride2(1H)-ISOQUINOLINECARBONYL CHLORIDE, 3,4-DIHYDRO-3,4-dihydro-1H-isoquinoline-2-carbonyl ChlorideMFCD13174297SCHEMBL329871SCHEMBL29590995ICQJONGSPSQPOH-UHFFFAOYSA-N

Show more names

3,4-dihydro-2(1H)-Isoquinolinecarbonyl chloride2(1H)-Isoquinolinecarbonylchloride,3,4-dihydro-(9CI)

ZHA48042AKOS016368989DA-247473,4-dihydroisoquinoline-2(1H)-carbonylchlorideG37729EN300-12235831,2,3,4-tetrahydro-2-isoquinolinecarbonyl chloride1,2,3,4-tetrahydroisoquinolin-2-ylcarbonyl chloride

Database identifiers

CAS: 199480-42-7
PubChem CID: 21890571
DTXSID: DTXSID80619533
EC Number: 985-877-6
Nikkaji: J2.104.017G

Properties

Computed structural properties

XLogP: 2.3
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

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, 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 CategoriesSkin Corr. 1B (100%)

Chemistry & industry

Applications

Uses3,4-Dihydroisoquinoline-2(1H)-carbonyl Chloride is used in preparation of the multi-targeted Carbamate compounds and their medical application.