Basic information
- CAS
509-34-2- Standard SMILES
CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2ccccc21- InChIKey
DZNJMLVCIZGWSC-UHFFFAOYSA-N- Molecular formula
- C28H30N2O3
- Average molar mass
- 442.5 g/mol
- Monoisotopic mass
- 442.22564282
Names & identifiers
- Preferred name
- Solvent Red 49
- IUPAC
- 3',6'-bis(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
- English name
- Solvent Red 49
- Molecular formula
- C28H30N2O3
- Molecular weight
- 442.55
Names & synonyms
Rhodamine B baseSolvent Red 49509-34-2C.I. Solvent Red 49Rhodamine B lactoneLacquer Pink SRhodamine S lactoneEljon Magenta TonerWaxoline Rhodamine BWaxoline Rhodamine BSAizen Rhodamine B BaseRhodamine B Base Extra
Show more names
Oil Pink BOil Red BNCI 45170.1CI 45170:1Basic Red 546SOLVENT RED BNElbasol Pink BVictosol Pink.
Rhodamine B Extra BaseRhodamine Base B ExtraDTXSID3041744KMK3588HIDRHODAMINE BASE BNSC-43944AIZEN SOT PINK 1Fluoran, 3',6'-bis(diethylamino)-
Database identifiers
- CAS
509-34-2- PubChem CID
- 62357
- DTXSID
DTXSID3041744- ChEMBL
CHEMBL3561678- UNII
- KMK3588HID
- EC Number
- 208-096-8
- Nikkaji
- J34.966F
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 655
Experimental & physicochemical properties
Collision Cross Section218.5 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3041744]
Physicochemical properties
- Boiling point
- 553.14 °C · 553.14°C (rough estimate)
- Density
- 1.1536 · 1.1536 (rough estimate)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- refractive index
- 1.58 · 1.5800 (estimate)
- storage temp.
- room temp
- solubility
- 1 mg/mL · ethanol: 1mg/mL
- form
- Fine Crystalline Powder
- Colour Index
- 45170 · 45170:1
- pka
- 5.8 · 5.80±0.20(Predicted)
- color
- Lilac
- Water Solubility
- 4.83 g/L · 4.83g/L at 30℃
- λmax
- 544 nm · 544 nm
- ε(extinction coefficient)
- 103000 at · ≥103000 at 542-546nm in methanol at 0.0025g/L
- Major Application
- diagnostic assay manufacturinghematologyhistology
- 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
- 3.649 at · 3.649 at 25℃
- CAS DataBase Reference
- 509 · 509-34-2(CAS DataBase Reference)
- FDA UNII
- 3588 HID · KMK3588HID
- EPA Substance Registry System
- 49 · C.I. Solvent Red 49 (509-34-2)
- UNSPSC Code
- 12171500 · 12171500
- NACRES
- 47 · NA.47
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-37/38-41
- Safety Statements
- 26 · 26-36/37
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 32041300 · 32041300
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.8% (11 of 397) of reports.
Danger
H302 (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.
Hazard information
Regulatory Information
Chemical: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-bis(diethylamino)-
Hazard Traits - Bioaccumulation; Environmental Persistence
Status: Active Update: 29-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18971
Spiro[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
Other Safety InformationIMAP assessments - Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-bis(diethylamino)-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (97%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 32041300
- risk_code
- 22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Household ProductsInformation on 2 consumer products that contain Solvent Red 49 in the following categories is provided:
General Manufacturing InformationSpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-bis(diethylamino)-: ACTIVE
Applications
UsesRhodamine 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
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers81 total
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
超彩实业有限公司0574-83851061 · [email protected]
广东大小化工有限公司1866-171603 18666171603 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
湖北隆信化工实业有限公司15271551270 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
海南瀚海致远生物科技有限公司18171012772 · [email protected]
JADECHEM (NINGBO) CO.,LTD.574-89075960 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海谱振生物科技有限公司4001650900 13817534909 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
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武汉克米克生物医药技术有限公司027-13163388153 13163388153 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
上海泰坦科技股份有限公司18616708014 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 400821072 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
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北京沃凯生物科技有限公司010-62971590 18548936886 · [email protected]
Related reactions
1 records
Compound notes
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