5-(クロロメチル)-1,3-ジメチル-1H-1,2,4-トリアゾール

5-(chloromethyl)-1,3-dimethyl-1H-1,2,4-triazole

HCID 13103100

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 84804-69-3
標準SMILES: Cc1nc(CCl)n(C)n1
InChIKey: PDVSHBCOEGYRQB-UHFFFAOYSA-N
分子式: C5H8ClN3
平均分子量: 145.59 g/mol
単同位体質量: 145.040675

名称と識別子

優先名称: 5-(chloromethyl)-1,3-dimethyl-1H-1,2,4-triazole
IUPAC: 5-(chloromethyl)-1,3-dimethyl-1,2,4-triazole
現地名: 5-(クロロメチル)-1,3-ジメチル-1H-1,2,4-トリアゾール
英語名: 5-Chloromethyl-1,3-dimethyl-1H-[1,2,4]triazole
分子式: C5H8ClN3
分子量: 145.59

名称と別名

5-(CHLOROMETHYL)-1,3-DIMETHYL-1H-1,2,4-TRIAZOLE84804-69-3DTXSID80518234RefChem:300315DTXCID30469040891-612-45-(chloromethyl)-1,3-dimethyl-1,2,4-triazoleMFCD13806380SCHEMBL3988225TQP0652PDVSHBCOEGYRQB-UHFFFAOYSA-NJDA80469

名称をさらに表示

5-(クロロメチル)-1,3-ジメチル-1H-1,2,4-トリアゾール5-Chloromethyl-1,3-dimethyl-1H-[1,2,4]triazole1H-1,2,4-Triazole, 5-(chloromethyl)-1,3-dimethyl-

AKOS016003308AT12165BS-36106SY455658DB-014533EN300-41582F2248795-(Chloromethyl)-1,3-dimethyl-1H-1,2,4-triazole, AldrichCPR

データベース識別子

CAS: 84804-69-3
PubChem CID: 13103100
DTXSID: DTXSID80518234
EC Number: 891-612-4

物性

構造計算による物性

XLogP: 0.8
極性表面積: 30.7 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 98

物理化学的性質

貯蔵温度: 2 · 2-8°C
外見: solid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.