1,2,3,4-Tetrahydroisoquinoline (HCID 7046)

Overview

1,2,3,4-tetrahydroisoquinoline is a member of isoquinolines.

Names & identifiers

Preferred name: 1,2,3,4-Tetrahydroisoquinoline
IUPAC: 1,2,3,4-tetrahydroisoquinoline
English name: 1,2,3,4-Tetrahydroisoquinoline hydrochloride
Molecular formula: C9H12ClN
Molecular weight: 169.65

Names & synonyms

1,2,3,4-Tetrahydroisoquinoline91-21-4Tetrahydroisoquinoline1,2,3,4-Tetrahydro-isoquinolineISOQUINOLINE, 1,2,3,4-TETRAHYDRO-3,4-dihydro-1H-isoquinoline1,2,3,4-Tetrahydro-2-azanaphthaleneDTXSID602611556W89FBX3ENSC-15312DTXCID106115RefChem:71317

Show more names

Compound Fr16648TIMTEC-BB SBB0038601,2,3,4-Tetrahydroisoquinoline HCl3,5-dimethyl-2-(1-pyrrolyl)pyrazine1,2,3,4-tetrahydro-isoquinolinhydrochloride1,2,3,4-Tetrahydroisoquinoline hydrochlorideIsoquinoline, 1,2,3,4-tetrahydro-, hydrochloride1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE 98+%1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE ISO 9001：2015 REACH

202-050-0MFCD000068961,2,3,4-Tetrahydro isoquinoline1,2,3,4-Tetrahydro-2-isoquinolineCHEMBL14346tetrahydro-isoquinoline1,2,3,4-Tetrahydro-2-azanaphthalene; 1,2,3,4-Tetrahydro-2-isoquinoline; 1,2,3,4-Tetrahydroisoquinoline; 3,4-Dihydro-1H-isoquinoline; NSC 15312;2CK

Database identifiers

CAS: 14099-81-1、91-21-4
PubChem CID: 7046
DTXSID: DTXSID6026115
ChEMBL: CHEMBL14346
ChEBI: CHEBI:125498
UNII: 56W89FBX3E
EC Number: 202-050-0
Nikkaji: J4.337K

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 111

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Quinolines

SpringerMaterials PropertiesChemical shift

Melting Point< -15 °C

Physical Description · 2 items

Clear brown liquid with an unpleasant odor; [Acros Organics MSDS]

Liquid

Physicochemical properties

Melting point: 198 · 198-202 °C
storage temp.: Sealed in dry,Room Temperature
Water Solubility: almost transparency
CAS DataBase Reference: 14099 · 14099-81-1(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes: Xn,Xi
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 36 · 36/37/39-26-37/39
RTECS: 5075000 · NX5075000
HS Code: 29334990 · 29334990
Toxicity: 50 · mouse,LD50,intraperitoneal,303mg/kg (303mg/kg),Journal of Medicinal Chemistry. Vol. 18, Pg. 1194, 1975.

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (69.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P308+P316, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 154 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Cease Manufacture Update: 21-08-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/10824

Hazards Summary · 1 item

Causes other degenerative changes to brain and coverings and effects on peptidases in acute intraperitoneal studies of rats; [RTECS] Causes burns; Toxic by ingestion; Harmful by inhalation; Highly toxic by skin absorption; May cause brain damage; [ECHA REACH Registrations] An irritant; [Acros Organics MSDS] See 5,6,7,8-Tetrahydroquinoline.

Hazard Classes and CategoriesAcute Tox. 3 (69.5%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

rtecs: NX5075000
hs_code: 29334990
Toxicity: mouse,LD50,intraperitoneal,303mg/kg (303mg/kg),Journal of Medicinal Chemistry. Vol. 18, Pg. 1194, 1975.
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
safety_code: 36/37/39-26-37/39
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313