4-(ヒドロキシメチル)チアゾール

(1,3-Thiazol-4-yl)methanol

HCID 2763215CAS 7036-04-6

部分構造検索類似構造を探す

基本情報

標準SMILES: OCc1cscn1
InChIKey: WQVOUANKVCYEIQ-UHFFFAOYSA-N
分子式: C4H5NOS
平均分子量: 115.16 g/mol
単同位体質量: 115.00918496

名称と識別子

優先名称: (1,3-Thiazol-4-yl)methanol
IUPAC: 1,3-thiazol-4-ylmethanol
現地名: 4-(ヒドロキシメチル)チアゾール
英語名: 4-Hydroxymethylthiazole
分子式: C4H5NOS
分子量: 115.15

名称と別名

(1,3-thiazol-4-yl)methanolRefChem:391418672-899-37036-04-64-(Hydroxymethyl)thiazole4-Hydroxymethylthiazolethiazole-4-methanolthiazol-4-ylmethanol1,3-thiazol-4-ylmethanolMFCD041157284-(hydroxymethyl)-1,3-thiazole4-THIAZOLEMETHANOL

名称をさらに表示

4-(ヒドロキシメチル)チアゾール4-ヒドロキシメチルチアゾールチアゾール-4-メタノール4-チアゾールメタノール4-(Hydroxymethyl)-1,3-thiazole95%4-(Hydroxymethyl)-1,3-thiazole 95%4-HydroxyMethylthiazole CAS7036-04-6

(Thiazol-4-yl)methanol4-Hydroxymethylthiaz(4-thiazolyl)methanolthiazol-4-yl-methanolSCHEMBL243565SCHEMBL243566SCHEMBL9709051,3-thiazol-4-ylmethan-1-ol

データベース識別子

CAS: 7036-04-6
PubChem CID: 2763215
DTXSID: DTXSID80376816
EC Number: 672-899-3
Nikkaji: J2.226.429J

物性

構造計算による物性

XLogP: 0.1
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: 1
重原子数: 7
形式電荷: 0
複雑度: 59

物理化学的性質

融点: 112 · 112-114 °C(Solv: ethyl ether (60-29-7); ethanol (64-17-5))
沸点: 85 · 85-90/0.5mm
比重(密度): 1.339 · 1.339±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
外見: liquid
酸解離定数(Pka): 13.21 · 13.21±0.10(Predicted)
色: colourless
InChI: InChI=1S/C4H5NOS/c6-1-4-2-7-3-5-4/h2-3,6H,1H2
InChIKey: WQVOUANKVCYEIQ-UHFFFAOYSA-N
SMILES: S1C=C(CO)N=C1
CAS データベース: 7036 · 7036-04-6(CAS DataBase Reference)

化学的性質

化学的特性Off-yellow oily liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

hs_code: 2934100090
risk_code: 37/38-41
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-39

化学と産業

応用分野

使用4-Hydroxymethylthiazole is mainly used as a pharmaceutical intermediate.

上流・下流製品情報

上流原料

4-Thiazolemethanol,acetate(ester)(9CI)4-チアゾールカルボン酸 4-チアゾールカルボキシアルデヒドチアゾール-4-カルボン酸エチル 4-メチルチアゾール水素化リチウムアルミニウム酢酸エチル水酸化ナトリウムテトラヒドロフラン

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Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

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毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]