기본 정보
- CAS
106058-86-0- 표준 SMILES
Cc1ccc(S(=O)(=O)n2ccc(C(=O)O)c2)cc1- InChIKey
UYHPMGMXSFLPOF-UHFFFAOYSA-N- 분자식
- C12H11NO4S
- 평균 분자량
- 265.29 g/mol
- 단동위원소 질량
- 265.04087883
이름 및 식별자
- 우선 이름
- 1-(4-methylbenzenesulfonyl)-1H-pyrrole-3-carboxylic acid
- IUPAC
- 1-(4-methylphenyl)sulfonylpyrrole-3-carboxylic acid
- 현지명
- N-토실-3-피롤카르복실산
- 영어명
- N-Tosyl-3-pyrrolecarboxylic acid
- 분자식
- C12H11NO4S
- 분자량
- 265.29
이름 및 동의어
1-(4-methylbenzenesulfonyl)-1H-pyrrole-3-carboxylic acidRefChem:425851843-857-3106058-86-0N-Tosyl-3-pyrrolecarboxylic Acid1-Tosyl-1H-pyrrole-3-carboxylic acidN-Tosyl-1H-pyrrole-3-carboxylic acidMFCD001450131-(4-methylphenyl)sulfonylpyrrole-3-carboxylic Acid1-[(4-methylphenyl)sulfonyl]-1H-pyrrole-3-carboxylic acidN-Tosyl-pyrrole-3-carboxylic acid1-TOSYL-PYRROLE-3-CARBOXYLIC ACID
이름 더 보기
N-토실-3-피롤카르복실산N-Tosyl-1H-pyrrole-3-carboxyliN-(P-TOSYL)-3-PYRROLECARBOXYLIC ACIDN-Tosyl-3-pyrrolecarboxylic acid,96%N-(p-Tosyl)-Pyrrole-3-Carboxylic AcidN-Tosyl-3-pyrrolecarboxylic acid 99%min
1-[(4-methylphenyl)sulfonyl]pyrrole-3-carboxylic acidN-Tosyl-3-pyrrolecarboxylicAcid1-tosyl-1H-pyrrole-3-carboxylicacidN-TOSYL-PYRRLE-3-CARBOXYLIC ACID1H-Pyrrole-3-carboxylic acid, 1-[(4-methylphenyl)sulfonyl]-1-(p-tolylsulfonyl)pyrrole-3-carboxylic acid1-(Toluene-4-sulfonyl)-1H-pyrrole-3-carboxylic acidSCHEMBL1504624
데이터베이스 식별자
- CAS
106058-86-0- PubChem CID
- 2724693
- DTXSID
DTXSID20369207- EC Number
- 843-857-3
- Nikkaji
- J3.596.248D
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 84.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 406
물리화학적 성질
- 녹는점
- 202 · 202-206 °C
- 끓는 점
- 360 °C · 360°C (rough estimate)
- 밀도
- 1.3219 · 1.3219 (rough estimate)
- 굴절률
- 1.495 · 1.4950 (estimate)
- 산도 계수 (pKa)
- 4.34 · 4.34±0.10(Predicted)
- 물리적 상태
- 고체
- 색상
- 노란색
화학적 성질
white to light yellow crystal powde
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- HS 번호
- 2917399590
- safety_code
- 24/25
화학 및 산업
공급사43 곳
韶远科技(上海)有限公司4000665055 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
杭州东帆化学有限公司86-0571-85151182
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
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