CAS 35166-37-1 3-(Chloromethyl)-5-methyl-1,2-oxazole (HCID 2735763)

基本情報

CAS: 35166-37-1
標準SMILES: Cc1cc(CCl)no1
InChIKey: FEXTXBAFBURKGS-UHFFFAOYSA-N
分子式: C5H6ClNO
平均分子量: 131.56 g/mol
単同位体質量: 131.01379149

名称と識別子

優先名称: 3-(Chloromethyl)-5-methyl-1,2-oxazole
IUPAC: 3-(chloromethyl)-5-methyl-1,2-oxazole
現地名: 3-クロロメチル-5-メチルイソオキサゾール
英語名: 3-(Chloromethyl)-5-methylisoxazole
分子式: C5H6ClNO
分子量: 131.56

名称と別名

3-(chloromethyl)-5-methyl-1,2-oxazoleRefChem:494655673-080-33-(chloromethyl)-5-methylisoxazole35166-37-13-Chloromethyl-5-methylisoxazoleMFCD00221166Isoxazole, 3-(chloromethyl)-5-methyl-3-chloromethyl-5-methyl-isoxazoleSCHEMBL2234913-chloromethyl-5-methyisoxazole3-choromethyl-5-methylisoxazole

名称をさらに表示

3-クロロメチル-5-メチルイソオキサゾール3-(クロロメチル)-5-メチルイソオキサゾールBUTTPARK 27\08-503-(Chloromethyl)-5-methylisoxazole, 95+%

5-methyl-3-chloromethylisoxazoleDTXSID703709293-chloromethyl-5-methyl isoxazole5-methyl-3-chloromethyl-isoxazoleFEXTXBAFBURKGS-UHFFFAOYSA-NKBA16637STR073423-(chloromethyl)-5-methyl isoxazole

データベース識別子

CAS: 35166-37-1
PubChem CID: 2735763
DTXSID: DTXSID70370929
EC Number: 673-080-3
Nikkaji: J2.102.171G

物性

構造計算による物性

XLogP: 1.2
極性表面積: 26 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: 8
形式電荷: 0
複雑度: 78.8

物理化学的性質

沸点: 93 °C · 93 °C
比重(密度): 1.202 · 1.202±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
外見: liquid
酸解離定数(Pka): -3.39 · -3.39±0.12(Predicted)
色: Brown
CAS データベース: 35166 · 35166-37-1(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]

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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.