기본 정보
- CAS
27333-47-7- 표준 SMILES
CN1c2ccccc2C(C)(C)C12C=Nc1c(ccc3ccccc13)O2- InChIKey
CQTRKDFIQFOAQV-UHFFFAOYSA-N- 분자식
- C22H20N2O
- 평균 분자량
- 328.4 g/mol
- 단동위원소 질량
- 328.15756326
개요
See other relationships...
이름 및 식별자
- 우선 이름
- 1,3-Dihydro-1,3,3-trimethylspiro[2H-indole-2,3'-[3H]naphth[2,1-b][1,4]oxazine]
- IUPAC
- 1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
- 영어명
- 1,3,3-Trimethylindolinonaphthospirooxazine
- 분자식
- C22H20N2O
- 분자량
- 328.41
이름 및 동의어
1,3-Dihydro-1,3,3-trimethylspiro[2H-indole-2,3'-[3H]naphth[2,1-b][1,4]oxazine]1,3-Dihydro-1,3,3-trimethylspiro(2H-indole-2,3'-(3H)naphth(2,1-b)(1,4)oxazine)RefChem:414424625-544-127333-47-71,3,3-trimethylspiro[indoline-2,3'-naphtho[2,1-b][1,4]oxazine]1,3,3-TrimethylindolinonaphthospirooxazinePhotorome IMFCD000133181',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]ChemDiv1_028499MLS000554429
이름 더 보기
Spironaphthooxazine1,3,3-TrimethylindolTrimethylindolinonaphthospirooxazine1,3,3-TRIMETHYLINDOLINONAPHTHOSPIROOXAZINE 98+%1,3,3-Trimethylindolinonaphthospirooxazine ,97%1,3,3-Trimethylindolinonaphthospirooxazine, 98.0%1,3,3-Trimethylindolinonaphthospirooxazine CAS NO.27333-47-7
SMR000146746T12591,3,3-trimethyl-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine]1'',3'',3''-trimethylspiro[benzo[f][1,4]benzoxazine-3,2''-indole]1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indoline]1,3,3-trimethylspiro[2H-indole-2,3'-3H-naphth[2,1-b][1,4]oxazine]1,3,3-Trimethylspiro[indoline-2,3 inverted exclamation mark -naphtho[2,1-b][1,4]oxazine]1,3,3-Trimethylspiro[indoline-2,3'-[3H]naphth[2,1-b][1,4]oxazine]
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 24.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 558
물리화학적 성질
- 녹는점
- 128 · 128-130 °C(lit.)
- 끓는 점
- 529.1 · 529.1±50.0 °C(Predicted)
- 밀도
- 1.19 · 1.19
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- soluble in Toluene,Benzene
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 3.26 · 3.26±0.40(Predicted)
- 색상
- White to Orange to Green
- InChI
- InChI=1S/C22H20N2O/c1-21(2)17-10-6-7-11-18(17)24(3)22(21)14-23-20-16-9-5-4-8-15(16)12-13-19(20)25-22/h4-14H,1-3H3
- InChIKey
- CQTRKDFIQFOAQV-UHFFFAOYSA-N
- SMILES
- N1(C)C2=C(C=CC=C2)C(C)(C)C21C=NC1=C3C(C=CC=C3)=CC=C1O2
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 39 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 CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29349990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
화학 및 산업
응용 분야
용도Photorome I is a photochromic dye that can be used as a smart colorant for a variety of applications which include optical switches, printing materials, and ophthalmic lenses.
일반 설명1,3-Dihydro-1,3,3-trimethylspiro[2H-indole-2,3′-[3H]naphth[2,1-b][1,4]oxazine] (Photorome I) is an organic photochromic material that is used as a spirooxazine dye for use in molecular electronics. This dye changes to blue on irradiating with UV light.
공급사73 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [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]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
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