CAS 62119-83-9 5-Bromo-alpha,alpha-dimethyl-2-thiophenemethanol (HCID 22714302)

基本情報

CAS: 62119-83-9
標準SMILES: CC(C)(O)c1ccc(Br)s1
InChIKey: NDHQIRSJBXYKBH-UHFFFAOYSA-N
分子式: C7H9BrOS
平均分子量: 221.12 g/mol
単同位体質量: 219.95575

名称と識別子

優先名称: 5-Bromo-alpha,alpha-dimethyl-2-thiophenemethanol
IUPAC: 2-(5-bromothiophen-2-yl)propan-2-ol
英語名: 2-(5-bromothiophen-2-yl)propan-2-ol
分子式: C7H9BrOS
分子量: 221.11

名称と別名

62119-83-95-Bromo-alpha,alpha-dimethyl-2-thiophenemethanolRefChem:3019912-(5-bromothiophen-2-yl)propan-2-olMFCD193514442-bromo-5-(1-hydroxy-1-methylethyl)thiophene2-(5-bromo-2-thienyl)propan-2-olSCHEMBL1164060NDHQIRSJBXYKBH-UHFFFAOYSA-NDTXSID001276286MCA11983AKOS015942695

名称をさらに表示

5-Bromo-α,α-dimethyl-2-thiophenemethanol2-Thiophenemethanol, 5-bromo-α,α-dimethyl-

5-Bromo-a,a-dimethyl-2-thiophenemethanolCS-35987DA-04347EN300-234043H699255-Bromo-I+/-,I+/--dimethyl-2-thiophenemethanolA1-18550

データベース識別子

CAS: 62119-83-9
PubChem CID: 22714302
DTXSID: DTXSID001276286
EC Number: 977-466-5

物性

構造計算による物性

XLogP: 2.4
極性表面積: 48.5 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: 10
形式電荷: 0
複雑度: 127

物理化学的性質

沸点: 257.4 · 257.4±25.0 °C(Predicted)
比重(密度): 1.548 · 1.548±0.06 g/cm3(Predicted)
酸解離定数(Pka): 13.63 · 13.63±0.29(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 1 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 CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

サプライヤー5 社

康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]

苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]

珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]

北京珐默兹医药科技有限公司15811073878 · [email protected]

化合物ノート

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