3-(クロロメチル)-5-メチル-1,2,4-オキサジアゾール

3-(Chloromethyl)-5-methyl-1,2,4-oxadiazole

HCID 302157CAS 1192-80-9

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1nc(CCl)no1
InChIKey: ZFYVXZGJPJTIPQ-UHFFFAOYSA-N
分子式: C4H5ClN2O
平均分子量: 132.55 g/mol
単同位体質量: 132.00904046

名称と識別子

優先名称: 3-(Chloromethyl)-5-methyl-1,2,4-oxadiazole
IUPAC: 3-(chloromethyl)-5-methyl-1,2,4-oxadiazole
現地名: 3-(クロロメチル)-5-メチル-1,2,4-オキサジアゾール
英語名: 3-(Chloromethyl)-5-methyl-1,2,4-oxadiazole
分子式: C4H5ClN2O
分子量: 132.55

名称と別名

3-(chloromethyl)-5-methyl-1,2,4-oxadiazoleDTXSID10306989RefChem:494654DTXCID10258116692-261-81192-80-93-Chloromethyl-5-methyl-[1,2,4]oxadiazole1,2,4-OXADIAZOLE, 3-(CHLOROMETHYL)-5-METHYL-MFCD01809083NSC1848243-chloromethyl-5-methyl-1,2,4-oxadiazoleSCHEMBL1170174

名称をさらに表示

3-(クロロメチル)-5-メチル-1,2,4-オキサジアゾール3-クロロメチル-5-メチル-[1,2,4]オキサジアゾール3-(Chloromethyl)-5-methyl-1,2,4-oxadiazole 98%3-(chloromethyl)-5-methyl-1,2,4-oxadiazole(SALTDATA: FREE)

ZFYVXZGJPJTIPQ-UHFFFAZFYVXZGJPJTIPQ-UHFFFAOYSA-NALBB-018592SBB014359STK787108AKOS001200892AB09935NSC-184824

データベース識別子

CAS: 1192-80-9
PubChem CID: 302157
DTXSID: DTXSID10306989
EC Number: 692-261-8
Nikkaji: J774.286J

物性

構造計算による物性

XLogP: 1
極性表面積: 38.9 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: 80.4

物理化学的性質

沸点: 76 · 76-77 °C(Press: 15 Torr)
比重(密度): 1.291 · 1.291±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C
酸解離定数(Pka): -1.1 · -1.10±0.32(Predicted)
外見: liquid
色: Colourless

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.