5-クロロ-3-クロロメチル-[1,2,4]チアジアゾール

5-Chloro-3-(chloromethyl)-1,2,4-thiadiazole

HCID 332610CAS 74461-64-6

部分構造検索類似構造を探す

基本情報

標準SMILES: ClCc1nsc(Cl)n1
InChIKey: FFFMIFUBJZBTCG-UHFFFAOYSA-N
分子式: C3H2Cl2N2S
平均分子量: 169.03 g/mol
単同位体質量: 167.9315746

名称と識別子

優先名称: 5-Chloro-3-(chloromethyl)-1,2,4-thiadiazole
IUPAC: 5-chloro-3-(chloromethyl)-1,2,4-thiadiazole
現地名: 5-クロロ-3-クロロメチル-[1,2,4]チアジアゾール
英語名: 5-CHLORO-3-(CHLOROMETHYL)-1,2,4-THIADIAZOLE
分子式: C3H2Cl2N2S
分子量: 169.03

名称と別名

5-chloro-3-(chloromethyl)-1,2,4-thiadiazoleDTXSID20318417RefChem:534669DTXCID10269540692-435-374461-64-65-Chloro-3-chloromethyl-[1,2,4]thiadiazoleMFCD00096470NSC330684SCHEMBL352774FFFMIFUBJZBTCG-UHFFFAOYSA-NSTR07215

名称をさらに表示

5-クロロ-3-クロロメチル-[1,2,4]チアジアゾール5-クロロ-3-(クロロメチル)-1,2,4-チアジアゾール3-Chloromethyl-5-chloro-1,2,4-thiadiazole1,2,4-Thiadiazole, 5-chloro-3-(chloromethyl)-1,2,4-Thiadiazole,5-chloro-3-(chloromethyl)-(7CI,9CI)

SBB088226AKOS006230637NSC-330684SY1925875-chloro-3-chloromethyl-1,2,4-thiadiazole3-chloromethyl-5-chloro-[1,2,4]thiadiazoleEN300-914983-chloromethyl-5-chloro-[1,2,4]-thiadiazole

データベース識別子

CAS: 74461-64-6
PubChem CID: 332610
DTXSID: DTXSID20318417
EC Number: 692-435-3

物性

構造計算による物性

XLogP: 2.1
極性表面積: 54 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 8
形式電荷: 0
複雑度: 81

物理化学的性質

沸点: 55 °C · 55°C 1mm
比重(密度): 1.551 g/mL · 1.551 g/mL at 25 °C
屈折率: 20 · n20/D1.561
闪点: 110 ℃ · >110℃
酸解離定数(Pka): -1.83 · -1.83±0.10(Predicted)
外見: liquid
InChI: 1S/C3H2Cl2N2S/c4-1-2-6-3(5)8-7-2/h1H2
InChIKey: FFFMIFUBJZBTCG-UHFFFAOYSA-N
SMILES: ClCc1nsc(Cl)n1
CAS データベース: 74461 · 74461-64-6

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (92.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 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.