N,N-Dimethylaminoethyl chloride hydrochloride

HCID 11636816CAS 4584-46-7

基本情報

標準SMILES: CN(C)CCCl.Cl
InChIKey: LQLJZSJKRYTKTP-UHFFFAOYSA-N
分子式: C4H11Cl2N
平均分子量: 144.04 g/mol
単同位体質量: 143.0268547

名称と識別子

優先名称: N,N-Dimethylaminoethyl chloride hydrochloride
IUPAC: 2-chloro-N,N-dimethylethanamine;hydrochloride

名称と別名

4584-46-72-Chloro-N,N-dimethylethylamine hydrochloride(2-Chloroethyl)dimethylamine hydrochloride2-(Dimethylamino)ethyl chloride hydrochlorideDimethylaminoethyl chloride hydrochlorideN,N-Dimethylaminoethyl chloride hydrochlorideN,N-Dimethyl-2-chloroethylamine hydrochlorideDTXSID70521092-Dimethylaminochloroethane hydrochlorideHE7Z9G0YMAN-(2-Chloroethyl)-N,N-dimethylammonium chloridebeta-CHLOROETHYLDIMETHYLAMINE HCl

名称をさらに表示

NSC-111230N,N-Dimethyl-N-(2-chloroethyl)amine hydrochloride2-Chloroethyl dimethyl ammonium chlorideChloro(dimethylamino)ethane hydrochlorideDimethyl(2-chloroethyl)amine hydrochlorideDTXCID9030678(2-Chloroethyl)dimethylamine monohydrochloride2-Chloroethyldimethylammonium chloride

データベース識別子

CAS: 4584-46-7
PubChem CID: 11636816
DTXSID: DTXSID7052109
ChEMBL: CHEMBL3561603
ChEBI: CHEBI:78153
UNII: HE7Z9G0YMA
EC Number: 224-970-1

物性

構造計算による物性

極性表面積: 3.2 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 7
形式電荷: 0
複雑度: 28

実験および物理化学的性質

Physical DescriptionBeige hygroscopic crystals; [Sigma-Aldrich MSDS]

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (69.6%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (31.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (74.7%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (69.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (69.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (67.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H341 (30.4%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]；H373 (24.1%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]；H411 (31.6%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P203, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 79 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 19-06-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/8275；Status: Active Update: 31-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12032

2-Chloroethyldimethylammonium chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 件

A moderate skin and eye irritant; Causes somnolence, ataxia, and tremor in oral lethal-dose studies of rats; Causes diffuse hepatitis in 7-day intermittent oral studies of rats; [RTECS] A skin and strong eye irritant; Toxic by ingestion and skin absorption; [Sigma-Aldrich MSDS] See 1-Chloro-2-(diethylamine)ethane hydrochloride.

Hazard Classes and CategoriesAcute Tox. 3 (69.6%)；Acute Tox. 4 (31.6%)；Acute Tox. 3 (74.7%)；Skin Irrit. 2 (69.6%)；Eye Irrit. 2 (69.6%)；STOT SE 3 (67.1%)；Muta. 2 (30.4%)；STOT RE 2 (24.1%)；Aquatic Chronic 2 (31.6%)

安全と保護具

Protective Action Criteria (PAC) · 3 件

0.71 [mg/m3]

7.9 [mg/m3]

47 [mg/m3]

毒性情報

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.