4-(クロロメチル)チアゾール塩酸塩

4-(Chloromethyl)-1,3-thiazole hydrochloride

HCID 2763289

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 7709-58-2
標準SMILES: Cl.ClCc1cscn1
InChIKey: NVTBASMQHFMANH-UHFFFAOYSA-N
分子式: C4H5Cl2NS
平均分子量: 170.06 g/mol
単同位体質量: 168.95197552

名称と識別子

優先名称: 4-(Chloromethyl)-1,3-thiazole hydrochloride
IUPAC: 4-(chloromethyl)-1,3-thiazole;hydrochloride
現地名: 4-(クロロメチル)チアゾール塩酸塩
英語名: 4-(CHLOROMETHYL)THIAZOLE HYDROCHLORIDE
分子式: C4H4ClNS.ClH
分子量: 170.06

名称と別名

4-(chloromethyl)-1,3-thiazole HydrochlorideRefChem:515505672-064-37709-58-24-(Chloromethyl)thiazole hydrochloride4-(chloromethyl)thiazole hcl4-chloromethylthiazole hydrochlorideMFCD020947384-(chloromethyl)-1,3-thiazole;hydrochloride4-(chloromethyl)thiazolehclSCHEMBL122926DTXSID60376874

名称をさらに表示

4-(クロロメチル)チアゾール塩酸塩4-(クロロメチル)チアゾール塩酸塩塩化物chloromethylthiazolehydrochloride4-CHLOROMETHYL-THIAZOLECHLOROMETHYLTHIAZOLE-4 HCL4-(CHLOROMETHYL)-1,3-THIAZOLE4-chloroMethythiazole hydrochloride4-ChloroMethylthiazoliuM hydrochloride4-(Chloromethyl)thiazole Hydrochloride >4-(CHLOROMETHYL)-1,3-THIAZOLE HYDROCHLORIDE

NVTBASMQHFMANH-UHFFFAOYSA-N4-(chloromethyl)thiazole HCl salt4-(chloromethyl)thiazolehydrochloride4-chloromethyl thiazole hydrochloride4-chloromethyl-thiazole hydrochlorideCL2524SBB0549354-(chloromethyl)thiazole;hydrochloride

データベース識別子

CAS: 7709-58-2
PubChem CID: 2763289
DTXSID: DTXSID60376874
EC Number: 672-064-3

物性

構造計算による物性

極性表面積: 41.1 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 8
形式電荷: 0
複雑度: 59.7

物理化学的性質

融点: 166 · 166-167 °C (sublm)
貯蔵温度: Inert atmosphere,Room Temperature
外見: powder to crystal
色: White to Light yellow
InChI: InChI=1S/C4H4ClNS.ClH/c5-1-4-2-7-3-6-4;/h2-3H,1H2;1H
InChIKey: NVTBASMQHFMANH-UHFFFAOYSA-N
SMILES: S1C=C(CCl)N=C1.[H]Cl
CAS データベース: 7709 · 7709-58-2(CAS DataBase Reference)

化学的性質

化学的特性White crystalline

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]

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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (40%)

安全データ

wgk: 3
hs_code: 2934100090
risk_code: 36/37/38-41-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

使用4-(Chloromethyl)thiazole hydrochloride and its derivatives can be used to prepare 4-thiazole carboxylic acid. It has been shown that in the study of synthesis of conformationally restricted RGD-containing integrin ligands by efficient solid-phase intramolecular thioalkylation, the reaction of S-nucleophiles with the newly generated N-terminal 4-chloromethyl thiazoles afforded the desired cyclic RGD product 5 with high purity and good overall yield[1].