2-アミノ-4,5-ジメチル-3-チオフェンカルボン酸エチル

Ethyl 2-amino-4,5-dimethyl3-thenoate

HCID 78536
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基本情報

CAS
4815-24-1
標準SMILES
CCOC(=O)c1c(N)sc(C)c1C
InChIKey
JYSDXODDWAQWJR-UHFFFAOYSA-N
分子式
C9H13NO2S
平均分子量
199.27 g/mol
単同位体質量
199.06669983

名称と識別子

優先名称
Ethyl 2-amino-4,5-dimethyl3-thenoate
IUPAC
ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate
現地名
2-アミノ-4,5-ジメチル-3-チオフェンカルボン酸エチル
英語名
ETHYL 2-AMINO-4,5-DIMETHYLTHIOPHENE-3-CARBOXYLATE
分子式
C9H13NO2S
分子量
199.27

名称と別名

ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate4815-24-13-Thiophenecarboxylic acid, 2-amino-4,5-dimethyl-, ethyl esterEthyl 2-amino-4,5-dimethyl3-thenoate2-Amino-4,5-dimethyl-3-thiophenecarboxylic acid ethyl esterR50Y14M25SEINECS 225-387-5NSC 86908NSC-86908UNII-R50Y14M25S2-amino-3-carbethoxy-4,5-dimethylthiopheneDTXSID30197437
名称をさらに表示
4,5-ジメチル-2-アミノチオフェン-3-カルボン酸エチル2-アミノ-4,5-ジメチルチオフェン-3-カルボン酸エチル2-アミノ-4,5-ジメチル-3-チオフェンカルボン酸エチル2-アミノ-3-(エトキシカルボニル)-4,5-ジメチルチオフェンエチル 2-アミノ-4,5-ジメチルチオフェン-3-カルボキシラートAKOS 92580AURORA 4294AKOS B000515AKOS MSC-0423Ethyl 2-aMino-4BUTTPARK 30\06-10AKOS BBS-00002580IFLAB-BB F0777-0822ART-CHEM-BB B000515TIMTEC-BB SBB005519
2-AMINO-3-(ETHOXYCARBONYL)-4,5-DIMETHYLTHIOPHENERefChem:138563DTXCID40119928225-387-5MFCD00085051NSC869082-amino-4,5-dimethylthiophene-3-carboxylic acid ethyl esterEthyl 2-amino-4,5-dimethyl-3-thiophenecarboxylate

データベース識別子

CAS
4815-24-1
PubChem CID
78536
DTXSID
DTXSID30197437
UNII
R50Y14M25S
EC Number
225-387-5
Nikkaji
J262.476A

物性

構造計算による物性

XLogP
2.8
極性表面積
80.6 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
3
重原子数
13

物理化学的性質

融点
90 °C · 90 °C
沸点
302.9 · 302.9±37.0 °C(Predicted)
比重(密度)
1.185 · 1.185±0.06 g/cm3(Predicted)
貯蔵温度
Keep in dark place,Inert atmosphere,Room temperature
溶解性
soluble in Methanol
外見
powder to crystal

化学的性質

化学的特性Yellow solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (40%): 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 (40%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (80%): 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 5 reports by companies from 4 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 (40%)；Acute Tox. 4 (40%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (40%)；STOT SE 3 (80%)

安全データ

wgk
WGK 3
hs_code
29349990
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36-24/25
hazard_class
IRRITANT

化学と産業

上流・下流製品情報

サプライヤー94 社

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海艾澜医药有限公司021-58099609-8008 13816260319 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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