基本情報
- CAS
82633-79-2- 標準SMILES
Cn1sc2c(c1=O)CCC2- InChIKey
PZOGAKOZVSTZSO-UHFFFAOYSA-N- 分子式
- C7H9NOS
- 平均分子量
- 155.22 g/mol
- 単同位体質量
- 155.04048508
概要
an isothiazolinone biocide; structure given in first source
名称と識別子
- 優先名称
- 2-Methyl-4,5-trimethylene-4-isothiazolin-3-one
- IUPAC
- 2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one
- 現地名
- ２メチル５，６ジヒドロ４Ｈシクロペンタ［ｄ］イソチアゾル３オン
- 英語名
- 2-methyl-4,5-trimethylene-4-isothiazolin-3-one
- 分子式
- C7H9NOS
- 分子量
- 155.22
名称と別名
82633-79-2Promexal2-Methyl-4,5-trimethylene-4-isothiazolin-3-oneH857315VPUPROMEXAL W 50DTXSID60324332H-Cyclopent(d)isothiazol-3(4H)-one, 5,6-dihydro-2-methyl-2,3,5,6-Tetrahydro-2-methyl-2H-cyclopenta(d)-1,2-thiazol-3-oneRefChem:881102-MTIDTXCID4012433407-630-9
名称をさらに表示
２メチル５，６ジヒドロ４Ｈシクロペンタ［ｄ］イソチアゾル３オン2-メチル-5,6-ジヒドロ-4H-シクロペンタ[D]イソチアゾール-3-オンPROMEXALX50PRESERVATIVE5,6-dihydro-2-methyl-2H-Cyclopent[d]isothiazol-3(4H)-one2H-Cyclopentdisothiazol-3(4H)-one, 5,6-dihydro-2-methyl-2-Methyl-5,6-dihydro-4H- cyclopenta[d]isothiazol-3(2H)-one2,3,5,6-tetrahydro-2-methyl-2H-cyclopenta[d]-1,2-thiazol-3-one
2-methyl-5,6-dihydro-2H-cyclopenta[d]isothiazol-3(4H)-one2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-oneUNII-H857315VPU2-methyl-2H,3H,4H,5H,6H-cyclopenta[d][1,2]thiazol-3-oneEC 407-630-92-methyl-4,5-trimethylene-4-isothiazoline-3-oneSCHEMBL124057AKOS006279795
物性
構造計算による物性
- XLogP
- 0.7
- 極性表面積
- 45.6 Ų
- 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
- 10
- 形式電荷
- 0
- 複雑度
- 222
物理化学的性質
- CAS データベース
- 82633 · 82633-79-2
- EPAの化学物質情報
- 2 · 2-Methyl-4,5-trimethylene-4-isothiazolin-3-one (82633-79-2)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Chemical: 3,4,5-tetrahydro-2-methyl-2H-cyclopenta[d]-1,2-thiazol-3-one
REACH registered substance: 2,3,5,6-tetrahydro-2-methyl-2H-cyclopenta[d]-1,2-thiazol-3-one (EC: 407-630-9)
2H-Cyclopentdisothiazol-3(4H)-one, 5,6-dihydro-2-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Acute toxicity - category 3
Acute toxicity (Oral) - Category 3
Acute Tox. 3 *
安全データ
- risk_code
- 25-41-43-50/53
- hazard_code
- T,N
- safety_code
- 22-26-36/37/39-45-60-61
化学と産業
応用分野
用途塗料?ポリマーエマルション?接着剤とに使用される工業用殺生物剤
説明2-Methyl-4,5-trimethylene-4-isothiazolin-3-one (MTI) is a biocide which induced contact dermatitis in a laboratory technician also sensitive to BIT.
サプライヤー12 社
郑州汇聚化工有限公司13393710386 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
安徽展昱生物科技有限公司18056079869 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
武汉浩荣生物科技有限公司18186132299 18186132299 · [email protected]
湖北美索伦科技有限公司13419562052 13419562052 · [email protected]
武汉裕清嘉衡药业有限公司027-83855381 15827508403 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
山东彬睿特新材料有限公司0533-2866658 15615638350 · [email protected]
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