2-Thiophenecarboxylic acid, 3-(chlorosulfonyl)-, methyl ester (HCID 2736733)

名称と識別子

優先名称: 2-Thiophenecarboxylic acid, 3-(chlorosulfonyl)-, methyl ester
IUPAC: methyl 3-chlorosulfonylthiophene-2-carboxylate
現地名: 3-(クロロスルホニル)-2-チオフェンカルボン酸メチル
英語名: Methyl 3-chlorosulfonylthiophene-2-carboxylate
分子式: C6H5ClO4S2
分子量: 240.68

名称と別名

59337-92-72-Carbomethoxy-3-thiophenesulfonyl chloride2-Thiophenecarboxylic acid, 3-(chlorosulfonyl)-, methyl esterMethyl 3-(Chlorosulfonyl)-2-thiophenecarboxylateDTXSID90886355RefChem:483779DTXCID401025687627-732-9methyl 3-(chlorosulfonyl)thiophene-2-carboxylatemethyl 3-chlorosulfonylthiophene-2-carboxylateMFCD000681602-(methoxycarbonyl)thiophene-3-sulfonyl chloride

名称をさらに表示

3-(クロロスルホニル)-2-チオフェンカルボン酸メチル3-(クロロスルホニル)-2-チオフェンカルボン酸メチル2-(メトキシカルボニル)-3-チオフェンスルホニルクロリド2-カルボメトキシ-3-チオフェンスルホニルクロリド2-(メトキシカルボニル)チオフェン-3-スルホニルクロリド3-(クロロスルホニル)チオフェン-2-カルボン酸メチルメチル 3-(クロロスルホニル)チオフェン-2-カルボキシラートAKOS 206-07BUTTPARK 27\06-40RARECHEM AM UC 0124Methyl 3-chlorosulfoLornoxicam Impurity G2-(Methoxycarbonyl)-3-thiophenesulfMETHYLCHLOROSULFONYLTHIOPHENECARBOXYLATE2-CARBOMETHOXY-3-THIOPHENESULFONYL CHLOR3-CHLOROSULFONYL-2-THIOPHENECARBOXYLIC A

Methyl-3-chlorosulfonylthiophene-2-carboxylate2-(Methoxycarbonyl)-3-thiophenesulfonyl ChlorideTenoxicam Impurity 23-chlorosulfonyl-2-thiophene carboxylic acid methyl ester2-methoxycarbonyl-3-thiophenesulfonyl chloridemethyl 3-(chlorosulphonyl)thiophene-2-carboxylateorb864218SCHEMBL388034

データベース識別子

CAS: 59337-92-7
PubChem CID: 2736733
DTXSID: DTXSID90886355
EC Number: 627-732-9、920-766-8
Nikkaji: J1.900.857F

物性

構造計算による物性

XLogP: 1.8
極性表面積: 97.1 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 3
重原子数: 13
形式電荷: 0
複雑度: 294

物理化学的性質

融点: 61 · 61-64 °C(lit.)
沸点: 364.8 · 364.8±27.0 °C(Predicted)
比重(密度): 1.568 · 1.568±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
溶解性: soluble in Toluene
外見: 結晶性粉末
色: 白から茶色
安定性: Moisture Sensitive
InChI: 1S/C6H5ClO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3
InChIKey: PJVJBDAUWILEOG-UHFFFAOYSA-N
SMILES: COC(=O)c1sccc1S(Cl)(=O)=O
CAS データベース: 59337 · 59337-92-7(CAS DataBase Reference)
EPAの化学物質情報: 2 · 2-Thiophenecarboxylic acid, 3-(chlorosulfonyl)-, methyl ester (59337-92-7)

化学的性質

化学的特性White powder

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory.；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

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesSkin Corr. 1 (100%)

法規制情報

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 3
hs_code: 29349990
risk_code: 34
hazard_code: C,Xi
hazard_note: Corrosive
safety_code: 26-27-36/37/39-45
hazard_class: IRRITANT
packing_group: III
Hazard Classifications: Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

用途と製造

General Manufacturing Information2-Thiophenecarboxylic acid, 3-(chlorosulfonyl)-, methyl ester: INACTIVE

応用分野

用途有機合成原料。

一般的な説明2-Carbomethoxy-3-thiophenesulfonyl chloride is widely employed as a sulfonylating reagent. It can be prepared from methyl 3-amino-2-thiophenecarboxylate.