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85138-49-4

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Basic Information
CAS No.: 85138-49-4
Name: BCECF
Molecular Structure:
Molecular Structure of 85138-49-4 (BCECF)
Formula: C27H20 O11
Molecular Weight: 520.44
Synonyms: 2',7'-Bis(carboxyethyl)-5(6)-carboxyfluorescein;5(or 6)-Carboxy-3',6'-dihydroxy-3-oxo-spiro[benzofuran-2(3H),9'-[9H]xanthene]-2',7'-dipropanoicacid; 9-[2,4(or2,5)-Dicarboxyphenyl]-6-hydroxy-3-oxo-3H-xanthene-2,7-dipropanoic acid; BCECF;BCECF acid
Density: 1.67g/cm3
Boiling Point: 936.2°Cat760mmHg
Flash Point: 318.2°C
Solubility: 2 mg/ml acetonitrile, 0.8 mg/ml DMSO
Appearance: reddish-brown or red crystalline powder
Hazard Symbols: Xn
Risk Codes: 20/21/22-36/37/38
Safety: 22-24/25
PSA: 187.89000
LogP: 3.39840
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Chemistry

Product Name: BCECF (CAS NO.85138-49-4)


Molecular Formula: C27H20O11
Molecular Weight: 520.44g/mol
Mol File: 85138-49-4.mol
Boiling point: 936.2 °C at 760 mmHg
Storage Temperature: −20°C
Flash Point: 318.2 °C
Density: 1.67 g/cm3
Surface Tension: 103.2 dyne/cm
Enthalpy of Vaporization: 142.7 kJ/mol
XLogP3-AA: 2.5
H-Bond Donor: 5
H-Bond Acceptor: 11
Structure Descriptors of BCECF (CAS NO.85138-49-4):
  IUPAC Name: 2',7'-bis(2-carboxyethyl)-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
  Canonical SMILES: C1=CC2=C(C=C1C(=O)O)C(=O)OC23C4=CC(=C(C=C4OC5=CC(=C(C=C35)CCC(=O)O)O)O)CCC(=O)O
  InChI: InChI=1S/C27H20O11/c28-19-10-21-17(8-12(19)2-5-23(30)31)27(16-4-1-14(25(34)35)7-15(16)26(36)38-27)18-9-13(3-6-24(32)33)20(29)11-22(18)37-21/h1,4,7-11,28-29H,2-3,5-6H2,(H,30,31)(H,32,33)(H,34,35) 
  InChIKey: DPEZGLOXYHZHIE-UHFFFAOYSA-N

Safety Profile

Safety Information of BCECF (CAS NO.85138-49-4):
Hazard Codes: XnHarmful
Risk Statements: 20/21/22-36/37/38 
20:  Harmful by inhalation 
21:  Harmful in contact with skin 
22:  Harmful if swallowed 
36:  Irritating to the eyes 
37:  Irritating to the respiratory system 
38:  Irritating to the skin 
Safety Statements: 22-24/25-36-26
22:  Do not breathe dust 
24:  Avoid contact with skin 
25:  Avoid contact with eyes 
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
36:  Wear suitable protective clothing 

Specification

 BCECF ,its CAS NO. is 85138-49-4,the synonyms is 2',7'-Bis(carboxyethyl)-5(6)-carboxyfluorescein ; Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-2',7'-dipropanoic acid, ar-carboxy-3',6'-dihydroxy-3-oxo-, (2S-(1(R*(R*)),2alpha,3abeta,7abeta))- ; Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-2',7'-dipropanoic acid,5(or 6)-carboxy-3',6'-dihydroxy-3-oxo- .