기본 정보
- CAS
6872-17-9- 표준 SMILES
C=C1N(C)c2ccc(Cl)cc2C1(C)C- InChIKey
VDMXGJJMPKAYQP-UHFFFAOYSA-N- 분자식
- C12H14ClN
- 평균 분자량
- 207.7 g/mol
- 단동위원소 질량
- 207.0814771
이름 및 식별자
- 우선 이름
- 5-Chloro-1,3,3-trimethyl-2-methyleneindoline
- IUPAC
- 5-chloro-1,3,3-trimethyl-2-methylideneindole
- 현지명
- 5-클로로-2-메틸렌-1,3,3-트리메틸인돌린
- 영어명
- 5-Chloro-2-methylene-1,3,3-trimethylindoline
- 분자식
- C12H14ClN
- 분자량
- 207.7
이름 및 동의어
5-Chloro-1,3,3-trimethyl-2-methyleneindoline1H-Indole, 5-chloro-2,3-dihydro-1,3,3-trimethyl-2-methylene-DTXSID40218844EINECS 229-972-6NSC 158263RefChem:534221DTXCID90141335229-972-66872-17-95-Chloro-2-methylene-1,3,3-trimethylindoline5-chloro-1,3,3-trimethyl-2-methylideneindoleMFCD00005814
이름 더 보기
5-클로로-2-메틸렌-1,3,3-트리메틸인돌린eneindoLoro-1,3,3-trimethyL5-Cl-1,3,3-TRIMETHYL-2-METHYLENEINDOLINE1,3,3-Trimethyl-2-methylene-5-chloroindoline5-acetamido-2-sulfobenzenediazonium chloride5-chloro-1,3,3-trimethyl-2-methylidene-indole5-Chloro-1,3,3-trimethyl-2-methyleneindoline >
5-chloro-1,3,3-trimethyl-2-methylidene-2,3-dihydro-1H-indole5-chloro-1,3,3-trimethyl-2-methylene-indolinec1177AKOS001358631AS-661385-Chloro-2,3-dihydro-1,3,3-trimethyl-2-methylene-1H-indoleD84166NSC158263
데이터베이스 식별자
- CAS
6872-17-9- PubChem CID
- 81308
- DTXSID
DTXSID40218844- EC Number
- 229-972-6
- Nikkaji
- J36.860A
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 3.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 259
물리화학적 성질
- 끓는 점
- 139 °C · 139 °C / 11mmHg
- 밀도
- 1.083 g/mL · 1.083 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.594(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Inert atmosphere,Room Temperature
- 물리적 상태
- 투명한 액체
- 산도 계수 (pKa)
- 1.12 · 1.12±0.40(Predicted)
- Specific Gravity
- 1.083 · 1.083
- 색상
- Orange to Brown to Dark purple
- InChI
- 1S/C12H14ClN/c1-8-12(2,3)10-7-9(13)5-6-11(10)14(8)4/h5-7H,1H2,2-4H3
- InChIKey
- VDMXGJJMPKAYQP-UHFFFAOYSA-N
- SMILES
- CN1C(=C)C(C)(C)c2cc(Cl)ccc12
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationChemical: 1H-Indole, 5-chloro-2,3-dihydro-1,3,3-trimethyl-2-methylene-
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29339900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도5-Chloro-2-methylene-1,3,3-trimethylindoline was used in the synthesis of 5′,6-dichloro-1′,3′,3′-trimethyl-spiro-[2H-1-benzopyran-2,2′-indoline].
일반 설명5-Chloro-2-methylene-1,3,3-trimethylindoline undergoes regiospecific 1,3-dipolar cycloaddition reaction with arylnitriloxydes and N-phenylarylnitrilimines.
상·하류 제품 정보
하류 제품
공급사74 곳
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上海炎泽化工有限公司15345144255 19975051755 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
Junwee Chemical co., Ltd.+86-571-85808636 +86-13958122542 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
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