4,5-Dichloro-2-methyl-4-isothiazolin-3-one

4,5-DICHLORO-2-METHYLISOTHIAZOLINONE · 4,5-Dichloro-2-Methylisothiazol-3-one · 4,5-dichloro-2-methyl-1,2-thiazol-3-one · 4,5-Dichloro-2-methylisothiazol-3(2H)-one · 4,5-Dichloro-2-methyl-3(2H)-isothiazolone · 4,5-dichloro-2-methyl-4-isothiazolin-3-one · 3(2H)-Isothiazolone, 4,5-dichloro-2-methyl-

https://huagongshe.com/ja/chemical/147017

4,5-Dichloro-2-methyl-4-isothiazolin-3-one の分子構造式

識別子と物理属性

CAS No.	26542-23-4
分子式	C4H3Cl2NOS
平均分子量	184.04 g/mol
単同位体質量	182.93124008 g/mol
SMILES	Cn1sc(Cl)c(Cl)c1=O
InChIKey	CVZDIUZSWUDGOP-UHFFFAOYSA-N
PubChem CID	147017
EC No.	998-506-8
DTXSID	DTXSID50181116

化学・物理的性質

XLogP	1.7
極性表面積	45.6
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	0
重原子数	9
形式電荷	0
複雑度	191
融点	116 °C
沸点	199.1±50.0 °C(Predicted)
密度	1.66±0.1 g/cm3(Predicted)
貯蔵条件	-20°C Freezer
溶解度	クロロホルム（微量）、酢酸エチル（微量）、メタノール（微量）
外観・状態	個体
pKa（酸解離定数）	-6.08±0.60(Predicted)
色	ホワイトからオフホワイト

安全性と法規制

GHS 分類	DangerH301+H311+H331 (100%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
規制情報	Chemical: 3(2H)-Isothiazolone, 4,5-dichloro-2-methyl-
その他の安全情報	IMAP assessments - 3(2H)-Isothiazolone, 4,5-dichloro-2-methyl-: Human health tier I assessment
Hazard Classes and Categories	Acute Tox. 3 (100%)
輸送番号（UN）	2922
危険等級	8
包装等級	III

用途

使用

4,5-Dichloro-2-methylisothiazol-3-one is an methylisothiazolinone derivative and a potential antimicrobial agent for the inhibition of PCAF activity.