2-Thiophenecarboxylic acid, 3-(chlorosulfonyl)-, methyl ester
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기본 정보
- CAS
59337-92-7- 표준 SMILES
COC(=O)c1sccc1S(=O)(=O)Cl- InChIKey
PJVJBDAUWILEOG-UHFFFAOYSA-N- 분자식
- C6H5ClO4S2
- 평균 분자량
- 240.7 g/mol
- 단동위원소 질량
- 239.9317787
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 물성보충 중
- XLogP
- 1.8
- 극성 표면적
- 97.1 Ų
- 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
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
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.
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하류 제품
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