D & C Orange No. 5

HCID 11689CAS 596-03-2
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C1OC2(c3ccccc31)c1ccc(O)c(Br)c1Oc1c2ccc(O)c1Br
InChIKey
ZDTNHRWWURISAA-UHFFFAOYSA-N
분자식
C20H10Br2O5
평균 분자량
490.1 g/mol
단동위원소 질량
487.88949762

이름 및 식별자

우선 이름
D & C Orange No. 5
IUPAC
4',5'-dibromo-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
영어명
4',5'-DIBROMOFLUORESCEIN
분자식
C20H10Br2O5
분자량
490.1

이름 및 동의어

4',5'-DibromofluoresceinEosinic acidJapan Orange 201D&C Orange No. 54',5'-DibromofluororesceinC.I. 45370:1CCRIS 4900D & C Orange no. 5DAIDAI201EINECS 209-876-0BRN 00571895P3H5X9X4Q
이름 더 보기
DIBROMOFLUORESCEINCI 45370:14,5-DIBROMOFLUORESCEINEOSIN2JCI 45370C.I.45370ACI 45370.1
Japan Orange No. 2014',5'-Dibromo-3',6'-dihydroxyspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one5-19-06-00462 (Beilstein Handbook Reference)orange 5Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 4',5'-dibromo-3',6'-dihydroxy-Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4',5'-dibromo-3',6'-dihydroxy-4',5'-DIBROMOFLUORESCEIN [MI]4',5'-Dibromo-3',6'-dihydroxyspiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, disodium salt

데이터베이스 식별자

CAS
596-03-2
PubChem CID
11689
DTXSID
DTXSID7024904
ChEMBL
CHEMBL3561473
UNII
5P3H5X9X4Q
EC Number
209-876-0
Nikkaji
J69.734F

물성

구조 계산 물성

XLogP
4.8
극성 표면적
76 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
5
회전 가능 결합 수
0
무거운 원자 수
27

실험 및 물리화학적 성질

CosmeticsHair dyeing
Food AdditivesDrugs, Cosmetics -> FDA Regulatory Status of Color Additives
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section186.2 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID7024904]

물리화학적 성질

녹는점
270 · 270-273 °C(lit.)
끓는 점
633.7 · 633.7±55.0 °C(Predicted)
밀도
1.6743 · 1.6743 (rough estimate)
증기압
0 Pa · 0Pa at 25℃
굴절률
1.501 · 1.5010 (estimate)
저장 조건
Sealed in dry,Room Temperature

화학적 성질

orange powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 19.6% (36 of 184) of reports.

Danger

H301 (21.2%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P273, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 184 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4',5'-dibromo-3',6'-dihydroxy-

REACH registered substance: 4',5'-dibromo-3',6'-dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one (EC: 209-876-0)

Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4',5'-dibromo-3',6'-dihydroxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (21.2%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
LM5200000
ridadr
UN 2811 6.1/PG 3
HS 번호
32129000
risk_code
36-25-36/37/38

화학 및 산업

용도 및 제조

Household Products · 2건

Information on 4 consumer products that contain Orange 5 in the following categories is provided:

Information on 1 consumer products that contain D & C Orange no. 5 in the following categories is provided:

Use ClassificationCosmetics -> Hair dyeing
General Manufacturing InformationSpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4',5'-dibromo-3',6'-dihydroxy-: ACTIVE

응용 분야

용도4'',5''-Dibromofluorescein is a stain with an absorption maximum of 450 nm. Dyes and metabolites, Environmental Testing

제조 방법

Fluorescein (C.I. Acid Yellow 73, C.I. 45350) in the sodium hydroxide solution two bromination, andmade into a free acid form.

상·하류 제품 정보

상류 원료

하류 제품

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]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [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]

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