C.I. 솔벤트 레드 49

C.I.솔벤트레드49 · C.I.용제적색49 · 적색215호 · RHODAMINE B BASE · Oil Pink B · Oil Red BN · CI 45170.1 · CI 45170:1

https://huagongshe.com/ko/chemical/62357

식별자 및 물리적 특성

CAS No.	509-34-2
분자식	C28H30N2O3
평균 분자량	442.5 g/mol
단동위원소 질량	442.22564282 g/mol
SMILES	CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2ccccc21
InChIKey	DZNJMLVCIZGWSC-UHFFFAOYSA-N
PubChem CID	62357
ChEMBL	CHEMBL3561678
EC No.	208-096-8
DTXSID	DTXSID3041744
현지명	C.I. 솔벤트 레드 49

화학 및 물리적 성질

XLogP	5.8
극성 표면적	42
수소 결합 공여자 수	0
수소 결합 수용자 수	5
회전 가능 결합 수	6
무거운 원자 수	33
형식 전하	0
복잡도	655
Collision Cross Section	218.5 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID3041744]
끓는 점	553.14°C (rough estimate)
밀도	1.1536 (rough estimate)
증기압	0Pa at 25℃
굴절률	1.5800 (estimate)
저장 조건	room temp
용해도	ethanol: 1mg/mL
물리적 상태	미세 결정성 분말
pKa(산도 계수)	5.80±0.20(Predicted)
색상	보라
용해도	4.83g/L at 30℃
주요 응용	진단 검사 제조혈액학조직학
InChI	1S/C28H30N2O3/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32/h9-18H,5-8H2,1-4H3
InChIKey	CVAVMIODJQHEEH-UHFFFAOYSA-N
SMILES	CCN(CC)c1ccc2c(OC3=CC(\C=CC3=C2c4ccccc4C([O-])=O)=[N+](\CC)CC)c1
LogP(분배 계수)	3.649 at 25℃
EPA	C.I. Solvent Red 49 (509-34-2)

화학적 성질

LILAC FINE CRYSTALLINE POWDER

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 2.8% (11 of 397) of reports.DangerH302 (97%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 397 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-bis(diethylamino)-Hazard Traits - BioaccumulationEnvironmental PersistenceStatus: Active Update: 29-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18971Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-bis(diethylamino)-: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보	IMAP assessments - Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-bis(diethylamino)-: Environment tier I assessment
Hazard Classes and Categories	Acute Tox. 4 (97%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
관세 코드	32041300
위험 문구(R)	22-37/38-41
위험 표시	Xn
안전 문구(S)	26-36/37
기존화학 물질	KE-08596
위험 등급	Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
저장 분류	11 - Combustible Solids

용도

Rhodamine B base is a fluorescent biological staining dye. Rhodamine B base is also used as a laser dye, tunable around 610 nm with the fluorescence yield being temperature dependent. Dyes and metabolites, Environmental Testing