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Aurin

HCID 5100CAS 603-45-2
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기본 정보

표준 SMILES
O=C1C=CC(=C(c2ccc(O)cc2)c2ccc(O)cc2)C=C1
InChIKey
FYEHYMARPSSOBO-UHFFFAOYSA-N
분자식
C19H14O3
평균 분자량
290.3 g/mol
단동위원소 질량
290.09429431

개요

Aurin is a diarylmethane.

이름 및 식별자

우선 이름
Aurin
IUPAC
4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one
현지명
파라로졸산
영어명
ROSOLIC ACID
분자식
C19H14O3
분자량
290.31

이름 및 동의어

Aurin603-45-2CorallinAurine4,4'-DihydroxyfuchsoneAurin No. 555C.I. 438002,5-Cyclohexadien-1-one, 4-[bis(4-hydroxyphenyl)methylene]-4-[bis(4-hydroxyphenyl)methylene]cyclohexa-2,5-dien-1-one85N4AK3JAUDTXSID2022387NSC-7805
이름 더 보기
로졸산아우린파라로졸산P-ROSOLIC ACIDRosoLCI 43800AURIN GRNsc 7805Aurin 555Rosolic aci
4-(Bis(4-hydroxyphenyl)methylene)cyclohexa-2,5-dien-1-one4-(Bis(p-hydroxyphenyl)methylene)cyclohexa-2,5-dien-1-one2,5-Cyclohexadien-1-one, 4-(bis(4-hydroxyphenyl)methylene)-4(bis(p-hydroxyphenyl)methylene)-2,5-cyclohexadien-1-oneRefChem:115651DTXCID002387210-041-8rosolic acid

데이터베이스 식별자

CAS
603-45-2
PubChem CID
5100
DTXSID
DTXSID2022387
ChEMBL
CHEMBL210868
ChEBI
CHEBI:34544
UNII
85N4AK3JAU
EC Number
210-041-8
Nikkaji
J9.443I

물성

구조 계산 물성

XLogP
3.9
극성 표면적
57.5 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
22

실험 및 물리화학적 성질

Chemical ClassesDyes -> Di- and Triaryl Dyes
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionDeep red solid; Technical product may be yellowish-brown with a dark green metallic fracture; [Merck Index] Dark red powder; [Sigma-Aldrich MSDS]
Collision Cross Section169.1 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점
309 °C · 309°C (decompose)
끓는 점
372.4 °C · 372.4°C (rough estimate)
밀도
1.2497 · 1.2497 (rough estimate)
굴절률
1.42 · 1.4200 (estimate)
저장 조건
Store at room temperature.
용해도
물, 벤젠에 실질적으로 불용성; 에탄올에 잘 녹는다

화학적 성질

red crystals or powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 2,5-Cyclohexadien-1-one, 4-[bis(4-hydroxyphenyl)methylene]-

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Aurin: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryA moderate irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29145090
risk_code
36/37/38-36/38
hazard_code
Xi
safety_code
26-36-37/39

화학 및 산업

용도 및 제조

UsesUsed as a dye intermediate; [Merck Index]
General Manufacturing Information2,5-Cyclohexadien-1-one, 4-[bis(4-hydroxyphenyl)methylene]-: ACTIVE
응용 분야 · 1건

용도Rosolic acid is used as a pH indicator in the range from 5.0 to 6.8. It acts as an intermediate in the manufacturing dyes. It is involved in the activation of heme oxygenase and in the inhibition of DNA fragmentation. It finds application in the selective isolation of coliform bacteria.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]

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