Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate (HCID 101012)

이름 및 식별자

우선 이름: Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate
IUPAC: methyl 3-sulfamoylthiophene-2-carboxylate
영어명: Methyl 3-aminosulfonylthiophene-2-carboxylate
분자식: C6H7NO4S2
분자량: 221.25

이름 및 동의어

59337-93-8methyl 3-sulfamoylthiophene-2-carboxylateMethyl 3-aminosulfonylthiophene-2-carboxylate2-Thiophenecarboxylic acid, 3-(aminosulfonyl)-, methyl esterMethyl 3-(aminosulfonyl)-2-thiophenecarboxylateDTXSID0044490ESI9CQO80Vmethyl 3-sulfamoyl-2-thiophenecarboxylate3-Sulfamoyl-2-(methoxycarbonyl)thiopheneDTXCID80244902-(METHOXYCARBONYL)THIOPHENE-3-SULFONAMIDERefChem:814943

이름 더 보기

CL2203-aminosuLMethyl 3-aminosulfon3-Sulfonyl amino thiopheneMETHYL 3-SULFAMOYLTHIOPHENE-2-CARBOXYLA&2-METHOXYCARBONYL-THIOPHENE-3-SULFONAMIDE2-(METHOXYCARBONYL)-THIOPHENE-3-SULFON-AMIDethyl 3-aminosulfonylthiophene-2-carboxylatemethyl-(3-aminosulfonylthiophen-2-carboxylate)

402-050-2611-820-9methyl 3-(aminosulfonyl)thiophene-2-carboxylateMFCD017608632-ester-3-sulfonamide (IN-A5546)AKOS000145887methyl 3-sulfamoylthiophene-2carboxylateMethyl 3-sulfamoylthiophen-2-carboxylate

데이터베이스 식별자

CAS: 59337-93-8
PubChem CID: 101012
DTXSID: DTXSID0044490
ChEMBL: CHEMBL3184199
UNII: ESI9CQO80V
EC Number: 402-050-2、611-820-9
Nikkaji: J719.382C

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 123 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 294

실험 및 물리화학적 성질

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

Physical DescriptionCBI

Collision Cross Section148.5 Å² [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0044490]

물리화학적 성질

녹는점: 123 · 123-124 °C(Solv: water (7732-18-5))
끓는 점: 428.3 · 428.3±55.0 °C(Predicted)
밀도: 1.517 · 1.517±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 9.55 · 9.55±0.60(Predicted)
EPA: 2 · 2-Thiophenecarboxylic acid, 3-(aminosulfonyl)-, methyl ester (59337-93-8)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

2-Thiophenecarboxylic acid, 3-(aminosulfonyl)-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Thiophenecarboxylic acid, 3-(aminosulfonyl)-, methyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

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

Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4438

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

tsca: TSCA listed
risk_code: 36-43
hazard_code: Xi
safety_code: 26-36/37
위험 등급: IRRITANT

화학 및 산업

용도 및 제조

U.S. Production2023: 50,000 - <250,000 lb

Industry UsesIntermediate

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

General Manufacturing Information · 2건

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

2-Thiophenecarboxylic acid, 3-(aminosulfonyl)-, methyl ester: ACTIVE

응용 분야

용도Methyl 3-Aminosulfonyl-2-thiopene Carboxylate is an intermediate in the synthesis of Thifensulfuron-methyl (T344700), a sulfonylurea herbicide.

상·하류 제품 정보

상류 원료

공급사50 곳

上海康恩博医药科技有限公司17510465506 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

湖北成丰化工有限公司13125175253 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

연결된 노트

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Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate

기본 정보