(4-メチル-2-フェニル-1,3-チアゾール-5-イル)メタノール

(4-Methyl-2-phenyl-thiazol-5-yl)-methanol

HCID 736541

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 61291-91-6
標準SMILES: Cc1nc(-c2ccccc2)sc1CO
InChIKey: JSIPFWSPCWZJIU-UHFFFAOYSA-N
分子式: C11H11NOS
平均分子量: 205.28 g/mol
単同位体質量: 205.05613515

名称と識別子

優先名称: (4-Methyl-2-phenyl-thiazol-5-yl)-methanol
IUPAC: (4-methyl-2-phenyl-1,3-thiazol-5-yl)methanol
現地名: (4-メチル-2-フェニル-1,3-チアゾール-5-イル)メタノール
英語名: (4-Methyl-2-phenyl-1,3-thiazol-5-yl)methanol
分子式: C11H11NOS
分子量: 205.28

名称と別名

(4-Methyl-2-phenyl-thiazol-5-yl)-methanolRefChem:403002692-374-261291-91-6(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanol(4-methyl-2-phenylthiazol-5-yl)methanolMFCD019287824-Methyl-2-phenylthiazole-5-methanol5-(Hydroxymethyl)-4-methyl-2-phenylthiazole(4-methyl-2-phenyl-1,3-thiazol-5-yl)methan-1-ol(4-Methyl-2-phenyl-thiazol-5-yl)methanolSCHEMBL3077683

名称をさらに表示

(4-メチル-2-フェニル-1,3-チアゾール-5-イル)メタノールBUTTPARK 98\12-895-Thiazolemethanol, 4-methyl-2-phenyl-2-Phenyl-4-methyl-5-(hydroxymethyl)thiazole

DTXSID80353066JSIPFWSPCWZJIU-UHFFFAOYSA-NLCA29191SBB0180704-methyl-2-phenyl-5-thiazolemethanolAKOS000302774AS-5642CCG-311504

データベース識別子

CAS: 61291-91-6
PubChem CID: 736541
DTXSID: DTXSID80353066
EC Number: 692-374-2

物性

構造計算による物性

XLogP: 2.2
極性表面積: 61.4 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 182

物理化学的性質

融点: 99 °C · 99 °C
沸点: 386.3 · 386.3±34.0 °C(Predicted)
比重(密度): 1.225 · 1.225±0.06 g/cm3(Predicted)
酸解離定数(Pka): 13.57 · 13.57±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

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

安全データ

hs_code: 2934208090
risk_code: 36/37/38
safety_code: 26-36/37/39
hazard_class: IRRITANT

化学と産業

上流・下流製品情報

下流製品

4-メチル-2-フェニル-1,3-チアゾール-5-カルバルデヒド

サプライヤー11 社

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

西安美科生物科技有限公司029-18710438009 18710438009 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]

化合物ノート

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