Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(ethyl(4-methylphenyl)amino)-3'-methyl-2'-(phenylamino)-

HCID 100964CAS 59129-79-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCN(c1ccc(C)cc1)c1ccc2c(c1)Oc1cc(C)c(Nc3ccccc3)cc1C21OC(=O)c2ccccc21
InChIKey: IXHBSOXJLNEOPY-UHFFFAOYSA-N
분자식: C36H30N2O3
평균 분자량: 538.6 g/mol
단동위원소 질량: 538.22564282

개요

See other relationships...

이름 및 식별자

우선 이름: Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(ethyl(4-methylphenyl)amino)-3'-methyl-2'-(phenylamino)-
IUPAC: 2'-anilino-6'-(N-ethyl-4-methylanilino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
영어명: 2'-anilino-6'-[ethyl(p-tolyl)amino]-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
분자식: C36H30N2O3
분자량: 538.64

이름 및 동의어

2'-anilino-6'-[ethyl(p-tolyl)amino]-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-oneEINECS 261-618-63-(N-Ethyl-N-p-tolyl)amino-6-methyl-7-anilinofluoranDTXSID50886351Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-[ethyl(4-methylphenyl)amino]-3'-methyl-2'-(phenylamino)-3'-(N-Ethyl-N-p-tolylamino)-6'-methyl-7'-anilinofluoranSpiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(ethyl(4-methylphenyl)amino)-3'-methyl-2'-(phenylamino)-2'-Anilino-6'-(ethyl(p-tolyl)amino)-3'-methylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-oneRefChem:888791DTXCID301025684261-618-659129-79-2

이름 더 보기

ETACTJ-111(B-103)2-Anilino-3-methyl-6-(N-ethyl-p-toluidino)fluoran3-(N-ethyl-N-4-methylphenylamino)-6-methyl-7-anilino fluoran2-Anilin-6-(N-ethyl-p-toluidin)-3-Methylspiro[isobenzofuran -1(3_H_),9-xanthen]-3-on3-[Ethyl(p-tolyl)amino]-6-methyl-7-anilinospiro[9H-xanthene-9,3'-isobenzofuran]-1'-one2'-Anilino-3'-methyl-6'-[(p-tolyl)ethylamino]spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one6'-(Ethyl(p-tolyl)amino)-3'-methyl-2'-(phenylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one

C36H30N2O3MFCD279772542'-anilino-6'-(N-ethyl-4-methylanilino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one3'-[ethyl(4-methylphenyl)amino]-6'-methyl-7'-(phenylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-oneSCHEMBL1395592SCHEMBL29915238AKOS037647685AS-74493

데이터베이스 식별자

CAS: 59129-79-2
PubChem CID: 100964
DTXSID: DTXSID50886351
EC Number: 261-618-6
Nikkaji: J87.351I

물성

구조 계산 물성

XLogP: 8.5
극성 표면적: 50.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 41
형식 전하: 0
복잡도: 913

물리화학적 성질

끓는 점: 77 · 77-78 °C
밀도: 1.32 · 1.32±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 0.53 · 0.53±0.20(Predicted)
InChIKey: IXHBSOXJLNEOPY-UHFFFAOYSA-N
SMILES: C12(C3=C(C=C(N(CC)C4=CC=C(C)C=C4)C=C3)OC3=C1C=C(NC1=CC=CC=C1)C(C)=C3)C1=C(C=CC=C1)C(=O)O2
EPA: -1 · Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-[ethyl(4-methylphenyl)amino]-3'-methyl-2'-(phenylamino)- (59129-79-2)

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (7 of 7) of all reports.

Not Classified

Aggregated GHS information provided per 7 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 1건

Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-[ethyl(4-methylphenyl)amino]-3'-methyl-2'-(phenylamino)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-[ethyl(4-methylphenyl)amino]-3'-methyl-2'-(phenylamino)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Hazard Classes and CategoriesNot Classified

안전 데이터

tsca: TSCA listed

화학 및 산업

용도 및 제조

U.S. Production2020: 57,562 lb

Consumer UsesDye

Industry UsesNot Known or Reasonably Ascertainable

General Manufacturing Information · 2건

Not Known or Reasonably Ascertainable

Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-[ethyl(4-methylphenyl)amino]-3'-methyl-2'-(phenylamino)-: ACTIVE

응용 분야

용도2'-anilino-6'-[ethyl(p-tolyl)amino]-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one is a hydrocarbon derivative and can be used as a thermal paper coupler, thermal ink, etc.

공급사35 곳

湖北蝶化新材料科技有限公司86-18372897-544 18995560451

Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]

河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]

南京诺利斯医药科技有限公司13901585132 · [email protected]

常州市华阳科技有限公司+8615250961469 · [email protected]

연결된 노트

불러오는 중…