基本情報
- CAS
34272-65-6- 標準SMILES
Cc1nc(C)c(CC(=O)O)s1- InChIKey
VVEIGFCSKPLKGZ-UHFFFAOYSA-N- 分子式
- C7H9NO2S
- 平均分子量
- 171.22 g/mol
- 単同位体質量
- 171.0353997
名称と識別子
- 優先名称
- 5-Thiazoleacetic acid, 2,4-dimethyl-
- IUPAC
- 2-(2,4-dimethyl-1,3-thiazol-5-yl)acetic acid
- 現地名
- 2,4-ジメチル-5-チアゾール酢酸
- 英語名
- (2,4-DIMETHYL-THIAZOL-5-YL)-ACETIC ACID
- 分子式
- C7H9NO2S
- 分子量
- 171.22
名称と別名
34272-65-65-Thiazoleacetic acid, 2,4-dimethyl-2,4-Dimethyl-5-thiazoleacetic acidBRN 0135369DTXSID701878374-27-00-04024 (Beilstein Handbook Reference)RefChem:103451DTXCID30110328VVEIGFCSKPLKGZ-UHFFFAOYSA-N(2,4-Dimethyl-thiazol-5-yl)-acetic acid2-(2,4-Dimethylthiazol-5-yl)acetic acid2-(DIMETHYL-1,3-THIAZOL-5-YL)ACETIC ACID
名称をさらに表示
2,4-ジメチル-5-チアゾール酢酸(2,4-ジメチル-1,3-チアゾール-5-イル)酢酸2-(2,4-ジメチル-1,3-チアゾール-5-イル)酢酸AKOS BBS-00002884CHEMBRDG-BB 4402640ASINEX-REAG BAS 077216392,4-dimethyl-5-thiazoleaceticaci2,4-DIMETHYLTHIAZOLE-5-ACETIC ACID2-(2,4-dimethyl-5-thiazolyl)acetic acid
(2,4-dimethyl-1,3-thiazol-5-yl)acetic acid2-(2,4-dimethyl-1,3-thiazol-5-yl)acetic acidMFCD01681584F3099-7071SCHEMBL873381SMSSF-0535962ALBB-036696SBB027445
データベース識別子
- CAS
34272-65-6- PubChem CID
- 214799
- DTXSID
DTXSID70187837- EC Number
- 800-134-7
- Nikkaji
- J59.589F
物性
構造計算による物性
- XLogP
- 1.3
- 極性表面積
- 78.4 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 2
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 163
物理化学的性質
- 融点
- 183 · 183-184 °C
- 沸点
- 320.5 · 320.5±27.0 °C(Predicted)
- 比重(密度)
- 1.295 · 1.295±0.06 g/cm3(Predicted)
- 貯蔵温度
- 2 · 2-8°C
- 酸解離定数(Pka)
- 3.62 · 3.62±0.10(Predicted)
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): 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)
Aggregated GHS information provided per 2 reports by companies from 2 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%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (50%)；Eye Irrit. 2 (50%)；Acute Tox. 4 (50%)；STOT SE 3 (50%)
安全データ
- hs_code
- 2934100090
- hazard_code
- Xi
- hazard_class
- IRRITANT
化学と産業
上流・下流製品情報
下流製品
サプライヤー20 社
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
上海洪创医药科技有限公司18151128828 · [email protected]
上海肯恩化学科技有限公司13120367189;18621755571 · [email protected]
上海旭仁化学科技有限公司021-31007982 18019432809 · [email protected]
盐城希曼生物科技有限公司0515-88280676; 18921872653 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
関連反応
2 件
化合物ノート
読み込み中…