(3,4-ジクロロベンジル)メチルアミン

[(3,4-Dichlorophenyl)methyl](methyl)amine

HCID 485436

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 5635-67-6
標準SMILES: CNCc1ccc(Cl)c(Cl)c1
InChIKey: XOEHPEYVNJXYEN-UHFFFAOYSA-N
分子式: C8H9Cl2N
平均分子量: 190.07 g/mol
単同位体質量: 189.0112047

名称と識別子

優先名称: [(3,4-Dichlorophenyl)methyl](methyl)amine
IUPAC: 1-(3,4-dichlorophenyl)-N-methylmethanamine
現地名: (3,4-ジクロロベンジル)メチルアミン
英語名: (3,4-Dichlorobenzyl)methylamine
分子式: C8H9Cl2N
分子量: 190.07

名称と別名

[(3,4-dichlorophenyl)methyl](methyl)amine((3,4-dichlorophenyl)methyl)(methyl)amineRefChem:389932820-677-35635-67-6N-Methyl-3,4-dichlorobenzylamine(3,4-Dichlorobenzyl)methylamine1-(3,4-dichlorophenyl)-N-methylmethanaminen-(3,4-dichlorobenzyl)-n-methylamineBenzenemethanamine, 3,4-dichloro-N-methyl-MFCD00013624CHEMBL1178112

名称をさらに表示

(3,4-ジクロロベンジル)メチルアミン1-(3,4-Dichlorophenyl)Olanexidine Impurity 73,4-DICHLORO-N-METHYLBENZYLAMINE(3,4-DICHLOROBENZYL)METHYLAMINE 95%N-(3,4-Dichlorobenzyl)-N-methylamine ,97%(3,4-dichlorophenyl)methyl-methylammonium

1-(3,4-dichlorophenyl)-N-methyl-methanamine1-(34-Dichlorophenyl)-N-methylmethanamine(3,4-dichlorophenyl)-N-methylmethanamineSCHEMBL298380SCHEMBL1352359SCHEMBL4573627SCHEMBL30139650SCHEMBL30139651

データベース識別子

CAS: 5635-67-6
PubChem CID: 485436
DTXSID: DTXSID70204896
ChEMBL: CHEMBL1178112
EC Number: 820-677-3
Nikkaji: J267.169G

物性

構造計算による物性

XLogP: 3
極性表面積: 12 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: 11
形式電荷: 0
複雑度: 119

物理化学的性質

沸点: 146 °C · 146 °C(Press: 47 Torr)
比重(密度): 1.226 · 1.226±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C, protect from light
酸解離定数(Pka): 8.77 · 8.77±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P342+P316, P362+P364, P403, P403+P233, 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；Resp. Sens. 1 (100%)；STOT SE 3 (100%)

安全データ

hs_code: 2921490090

化学と産業

上流・下流製品情報

上流原料

3,4-ジクロロベンズアルデヒドメチルアミンエタノールナトリウムトリアセトキシボロヒドリド 1,2-ジクロロエタン

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化合物ノート

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