1,2,3,4-四氢异喹啉 (HCID 7046)

概述

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

名称与标识

首选名称: 1,2,3,4-Tetrahydroisoquinoline
IUPAC: 1,2,3,4-tetrahydroisoquinoline
中文名: 1,2,3,4-四氢异喹啉盐酸盐
英文名: 1,2,3,4-Tetrahydroisoquinoline hydrochloride
分子式: C9H12ClN
分子量: 169.65

名称与别名

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

展开更多名称

化合物 Fr16648盐酸1,2,3,4-四氢异喹啉1,2,3,4-四氢异喹啉盐酸盐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

数据库标识

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

性质

结构计算性质

XLogP: 1.6
极性表面积: 12 Å²
氢键供体: 1
氢键受体: 1
可旋转键: 0
重原子: 10
形式电荷: 0
复杂度: 111

实验与物化性质

Chemical ClassesNitrogen Compounds -> Quinolines

SpringerMaterials PropertiesChemical shift

Melting Point< -15 °C

Physical Description · 2 条

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

Liquid

物理化学性质

熔点: 198 · 198-202 °C
储存条件: Sealed in dry,Room Temperature
水溶解性: almost transparency
CAS 数据库: 14099 · 14099-81-1(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 4 条

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.

危害信息

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

Hazards Summary · 1 条

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%)

毒理信息

Adverse EffectsDermatotoxin - Skin burns.

安全数据

毒性: mouse,LD50,intraperitoneal,303mg/kg (303mg/kg),Journal of Medicinal Chemistry. Vol. 18, Pg. 1194, 1975.
RTECS号: NX5075000
安全说明: 36/37/39-26-37/39
海关编码: 29334990
危险品标志: Xn,Xi
危险类别码: 36/37/38-20/21/22

化学与工业

用途与制造

UsesUsed as an intermediate; [ECHA REACH Registrations]

General Manufacturing InformationIsoquinoline, 1,2,3,4-tetrahydro-: ACTIVE

试剂价格

T1637 · 25G: 1,2,3,4-四氢异喹啉盐酸盐1,2,3,4-Tetrahydroisoquinoline Hydrochloride — 968元
370000250 · 25GR: 1,2,3,4-四氢异喹啉盐酸盐1,2,3,4-Tetrahydroisoquinoline hydrochloride 98% — 4608元