2-클로로-3-(메틸설포닐)벤조산
2-Chloro-3-methyl-4-(methylsulfonyl)benzoic acid
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
106904-09-0- 표준 SMILES
Cc1c(S(C)(=O)=O)ccc(C(=O)O)c1Cl- InChIKey
RRFGGUXLGOVPOP-UHFFFAOYSA-N- 분자식
- C9H9ClO4S
- 평균 분자량
- 248.68 g/mol
- 단동위원소 질량
- 247.9910076
이름 및 식별자
- 우선 이름
- 2-Chloro-3-methyl-4-(methylsulfonyl)benzoic acid
- IUPAC
- 2-chloro-3-methyl-4-methylsulfonylbenzoic acid
- 현지명
- 2-클로로-3-(메틸설포닐)벤조산
- 영어명
- 2-chloro-3-(Methylsulfonyl)benzoic acid
- 분자식
- C9H9ClO4S
- 분자량
- 248.68
이름 및 동의어
2-Chloro-3-methyl-4-(methylsulfonyl)benzoic acid106904-09-0EC 600-786-0RefChem:468712600-786-02-chloro-3-methyl-4-methylsulfonylbenzoic acidMFCD28291815Benzoic acid, 2-chloro-3-methyl-4-(methylsulfonyl)-SCHEMBL4032987DTXSID70558068AKOS024438283AS-33370
이름 더 보기
2-클로로-3-(메틸설포닐)벤조산2-chlor0-3-(Methylsulfonyl)benzoic acid2-chloro-3-(Methylsulfonyl)benzoic acid
SY103773CS-0153667NS000061182-Chloro-3-methyl-4-(methylsulfonyl)benzoicacid2-chloro-3-methyl-4-methylsulfonyl-benzoic acid2-Chloro-4-(methanesulfonyl)-3-methylbenzoic acidF467271
데이터베이스 식별자
- CAS
106904-09-0- PubChem CID
- 14254476
- DTXSID
DTXSID70558068- EC Number
- 600-786-0
물성
구조 계산 물성보충 중
- XLogP
- 1.7
- 극성 표면적
- 79.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 346
물리화학적 성질
- 끓는 점
- 458.9 · 458.9±45.0 °C(Predicted)
- 밀도
- 1.446 · 1.446±0.06 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 산도 계수 (pKa)
- 2.18 · 2.18±0.28(Predicted)
- InChI
- InChI=1S/C9H9ClO4S/c1-5-7(15(2,13)14)4-3-6(8(5)10)9(11)12/h3-4H,1-2H3,(H,11,12)
- InChIKey
- RRFGGUXLGOVPOP-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC=C(S(C)(=O)=O)C(C)=C1Cl
- LogP
- -2.4 · -2.4-1.4 at 23℃ and pH1-7
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (5 of 5) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 5 of 5 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 5 of 5 reports by companies.；There are 0 notifications provided by 0 of 5 reports by companies with hazard statement code(s).；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 Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 26-08-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/13622
Hazard Classes and CategoriesNot Classified
규제 정보
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 26-08-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/13622
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzoic acid, 2-chloro-3-methyl-4-(methylsulfonyl)-: ACTIVE
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
5건
화합물 노트
불러오는 중…