4,4'(4-(4-Methoxyphenyl)-1,3,5-triazin-2,4-diyl)bisbenzene-1,3-diol
기본 정보
- CAS
1440-00-2- 표준 SMILES
COc1ccc(-c2nc(-c3ccc(O)cc3O)nc(-c3ccc(O)cc3O)n2)cc1- InChIKey
JLUNJUVGBLZKPE-UHFFFAOYSA-N- 분자식
- C22H17N3O5
- 평균 분자량
- 403.4 g/mol
이름 및 식별자
- 우선 이름
- 4,4'(4-(4-Methoxyphenyl)-1,3,5-triazin-2,4-diyl)bisbenzene-1,3-diol
- IUPAC
- 4-[4-(2,4-dihydroxyphenyl)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
- 영어명
- 1,3-Benzenediol, 4,4'-[6-(4-methoxyphenyl)-1,3,5-triazine-2,4-diyl]bis-
- 분자식
- C22H17N3O5
- 분자량
- 403.39
이름 및 동의어
1440-00-2EC 444-500-04,4'(4-(4-Methoxyphenyl)-1,3,5-triazin-2,4-diyl)bisbenzene-1,3-diolRefChem:506362444-500-01,3-Benzenediol, 4,4'-[6-(4-methoxyphenyl)-1,3,5-triazine-2,4-diyl]bis-4,4'-(6-(4-methoxyphenyl)-1,3,5-triazine-2,4-diyl)bis(benzene-1,3-diol)MFCD317150354-[4-(2,4-dihydroxyphenyl)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol4,4'-[6-(4-Methoxyphenyl)-1,3,5-triazine-2,4-diyl]bis[1,3-benzenediol]Appolo-1253-hydroxy-4-[4-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-6-(4-methoxyphenyl)-1H-1,3,5-triazin-2-ylidene]cyclohexa-2,5-dien-1-one
이름 더 보기
2,4-bis(2,4-dihydroxyphenyl)-6-(4-methoxyphenyl)-1,3,5-triazinebemotrizinol intermediate(4-methoxyphenyl)-1,3,5-triazine-2,4-diyl]bis2,6-bis(2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,3,5-tri4,4'-[6-(4-methoxyphenyl)-1,3,5-triazine-2,4-diyl]dibenzene-...2-(4-DMETHOXYPHENYL)4,6-BIS(2.4-DIHYDROXYPHENYL)-1,3,5-TRIAZINE2,6-Bis(2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,3,5-triazine2-(4-Methoxyphenyl)4,6-bis-(2,4-dihydroxyphenyl) -1,3,5-triazine
SCHEMBL4411824SCHEMBL29649707DTXSID10708000JLUNJUVGBLZKPE-UHFFFAOYSA-NZB01804,4'-[6-(4-methoxyphenyl)-1,3,5-triazine-2,4-diyl]dibenzene-1,3-diolMSK186604-100MAS-91860
데이터베이스 식별자
- CAS
1440-00-2- PubChem CID
- 135490907
- DTXSID
DTXSID10708000- EC Number
- 444-500-0
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 129 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 513
물리화학적 성질
- 녹는점
- 360 °C · >360 °C
- 끓는 점
- 755.6 · 755.6±62.0 °C(Predicted)
- 밀도
- 1.427 · 1.427±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C, stored under nitrogen
- 산도 계수 (pKa)
- 8.21 · 8.21±0.40(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 105 reports by companies from 2 notifications to the ECHA C&L Inventory.
H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
유해성 정보
Regulatory InformationStatus: Active Update: 16-08-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/9863
Hazard Classes and Categories
Aquatic Chronic 3 (100%)
Hazardous to the aquatic environment (chronic) - category 3
Aquatic Chronic 3
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H412
관련 반응
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