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

이름 및 식별자

우선 이름: 2-Thiophenecarboxylic acid, 3-(chlorosulfonyl)-, methyl ester
IUPAC: methyl 3-chlorosulfonylthiophene-2-carboxylate
영어명: Methyl 3-chlorosulfonylthiophene-2-carboxylate
분자식: C6H5ClO4S2
분자량: 240.68

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 97.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 294

물리화학적 성질

녹는점: 61 · 61-64 °C(lit.)
끓는 점: 364.8 · 364.8±27.0 °C(Predicted)
밀도: 1.568 · 1.568±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 톨루엔에 용해됨
물리적 상태: 결정성 분말
색상: 흰색에서 갈색으로
안정성: 수분에 민감한
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
EPA: 2 · 2-Thiophenecarboxylic acid, 3-(chlorosulfonyl)-, methyl ester (59337-92-7)

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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

Hazard Classes and CategoriesSkin Corr. 1 (100%)

규제 정보

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

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 3
HS 번호: 29349990
risk_code: 34
hazard_code: C,Xi
safety_code: 26-27-36/37/39-45
포장분류: III
위험 등급: IRRITANT
위험 참고 사항: Corrosive
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

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

응용 분야

일반 설명2-Carbomethoxy-3-thiophenesulfonyl chloride is widely employed as a sulfonylating reagent. It can be prepared from methyl 3-amino-2-thiophenecarboxylate.