Basic information
- CAS
3326-35-0- Standard SMILES
O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc([N+](=O)[O-])cc21- InChIKey
UACQOMKZFGNRBL-UHFFFAOYSA-N- Molecular formula
- C20H11NO7
- Average molar mass
- 377.3 g/mol
- Monoisotopic mass
- 377.05355169
Names & identifiers
- Preferred name
- Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 3',6'-dihydroxy-5-nitro-
- IUPAC
- 3',6'-dihydroxy-6-nitrospiro[2-benzofuran-3,9'-xanthene]-1-one
- English name
- 4-Nitrofluorescein
- Molecular formula
- C20H11NO7
- Molecular weight
- 377.3
Names & synonyms
3326-35-0Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-5-nitro-DTXSID9062980Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 3',6'-dihydroxy-5-nitro-RefChem:381116DTXCID60386613',6'-Dihydroxy-5-nitro-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one5-Nitrofluorescein (isomer I)3',6'-dihydroxy-6-nitrospiro[2-benzofuran-3,9'-xanthene]-1-oneSCHEMBL3708020MFCD00059693AKOS030242309
Show more names
4-NITROFLUORESCEIN4-NITROFLUOROESCEIN5-Nitrofluorescein(isomerI)>3',6'-dihydroxy-6-nitrospiro[2-benzofuran-3,9'-xanthene]-1-one3',6'-dihydroxy-6-nitro-spiro[2-benzofuran-3,9'-xanthene]-1-one6,11-dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid ethyl ester3',6'-Dihydroxy-5-nitrospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one
CS-W009755BS-17618N0199H10651F5775193',6'-dihydroxy-6-nitro-spiro[isobenzofuran-3,9'-xanthene]-1-one3',6'-Dihydroxy-5-nitro-3H-spiro [isobenzofuran-1,9'-xanthen]-3-one3',6'-Dihydroxy-5-nitro-3H-spiro[[2]benzofuran-1,9'-xanthen]-3-one
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 637
Physicochemical properties
- Melting point
- 300 °C · >300°C
- Boiling point
- 692 · 692.0±55.0 °C(Predicted)
- Density
- 1.72 · 1.72±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 100 g/L · almost transparency in NaOH100g/L
- form
- powder to crystal
- pka
- 9.29 · 9.29±0.20(Predicted)
- color
- Light yellow to Brown
- Stability
- Light and Moisture Sensitive
- InChI
- InChI=1S/C20H11NO7/c22-11-2-5-15-17(8-11)27-18-9-12(23)3-6-16(18)20(15)14-4-1-10(21(25)26)7-13(14)19(24)28-20/h1-9,22-23H
- InChIKey
- UACQOMKZFGNRBL-UHFFFAOYSA-N
- SMILES
- C12(C3=C(C=C(O)C=C3)OC3=C1C=CC(O)=C3)C1=C(C=C([N+]([O-])=O)C=C1)C(=O)O2
- EPA Substance Registry System
- -1 · Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-5-nitro- (3326-35-0)
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- hs_code
- 2932.99.7000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationSpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-5-nitro-: INACTIVE
Applications
UsesFluorescent labeling reagent for proteins. 4-Nitrofluorescein is used in the fluorescent antibody technique for rapid identification of pathogens.
Upstream & downstream products
Downstream products
Suppliers65 total
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]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
Related reactions
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Compound notes
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