CAS 17969-22-1 4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-thiazole (HCID 610297)

基本情報

CAS: 17969-22-1
標準SMILES: ClCc1csc(-c2ccc(Cl)cc2)n1
InChIKey: UEJQTBKTWJQBRN-UHFFFAOYSA-N
分子式: C10H7Cl2NS
平均分子量: 244.14 g/mol
単同位体質量: 242.9676258

名称と識別子

優先名称: 4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-thiazole
IUPAC: 4-(chloromethyl)-2-(4-chlorophenyl)-1,3-thiazole
現地名: 4-(クロロメチル)-2-(4-クロロフェニル)チアゾール
英語名: 4-(CHLOROMETHYL)-2-(4-CHLOROPHENYL)-1,3-THIAZOLE
分子式: C10H7Cl2NS
分子量: 244.14

名称と別名

4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-thiazole17969-22-1DTXSID70346189RefChem:288693DTXCID10297262814-496-94-(Chloromethyl)-2-(4-chlorophenyl)thiazoleThiazole, 4-(chloromethyl)-2-(4-chlorophenyl)-MFCD00047057Thiazole, 4-(chloromethyl)-2-(p-chlorophenyl)-4-CHLOROMETHYL-2-(4-CHLORO-PHENYL)-THIAZOLEThiazole,4-(chloromethyl)-2-(4-chlorophenyl)-

名称をさらに表示

4-(クロロメチル)-2-(4-クロロフェニル)チアゾール4-(クロロメチル)-2-(4-クロロフェニル)-1,3-チアゾール4-(Chloromethyl)-2-(4-chlorophenyl)-12-(chloromethyl)-4-(4-chlorophenyl)thiazole4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-thiazole, HCl

MLS000389685SCHEMBL203617CHEMBL510132F2145-0261HMS2543N17ALBB-002334CS-M2028STK470393

データベース識別子

CAS: 17969-22-1
PubChem CID: 610297
DTXSID: DTXSID70346189
ChEMBL: CHEMBL510132
EC Number: 814-496-9
Nikkaji: J143.006H

物性

構造計算による物性

XLogP: 3.7
極性表面積: 41.1 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: 2
重原子数: 14
形式電荷: 0
複雑度: 183

物理化学的性質

融点: 78 °C · 78 °C
沸点: 373.989 · 373.989±52.00 °C(Press: 760.00 Torr)(predicted)
比重(密度): 1.379 · 1.379±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
貯蔵温度: -20 °C, · -20°C, stored under nitrogen
酸解離定数(Pka): -0.289 · -0.289±0.10(predicted)
CAS データベース: 17969 · 17969-22-1

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (50%)；Eye Irrit. 2 (50%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)