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| Name |
5-Bromo-4-chloro-3-indolyl phosphate disodium salt |
EINECS | 600-286-2 |
| CAS No. | 102185-33-1 | Density | N/A |
| PSA | 98.02000 | LogP | 3.93170 |
| Solubility | 20 mg/mL in water | Melting Point |
300 °C |
| Formula | C8H6BrClNO4P . 2Na | Boiling Point | 580.2 °C at 760 mmHg |
| Molecular Weight | 370.43 | Flash Point | 304.7 °C |
| Transport Information | N/A | Appearance | Off-white to light beige crystalline powder |
| Safety | 22-24/25-36-26 | Risk Codes | 20/21/22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
1H-Indol-3-ol,5-bromo-4-chloro-, dihydrogen phosphate (ester), disodium salt (9CI);5-Bromo-4-chloro-3-indolyl phosphate disodium salt; |
5-Bromo-4-chloro-3-indolyl phosphate disodium salt Specification
1.Introduction of 5-Bromo-4-chloro-3-indolyl phosphate disodium salt
5-Bromo-4-chloro-3-indolyl phosphate disodium salt, with its CAS NO 102185-33-1, is a kind of off-white to light beige crystalline powder. It has synonyms of 1H-Indol-3-ol,5-bromo-4-chloro-, dihydrogen phosphate (ester), disodium salt (9CI) and mainly used as pharmaceutical Intermediates.
2.Properties of 5-Bromo-4-chloro-3-indolyl phosphate disodium salt
(1) H bond acceptors: 5 (2) H bond donors: 3 (3) Freely Rotating Bonds: 2
(4) Polar Surface Area: 81.5 Å2 (5) Flash Point: 304.7 °C (6) Enthalpy of Vaporization: 91.3 kJ/mol
(7) Boiling Point: 580.2 °C at 760 mmHg (8) Vapour Pressure: 2.65E-14 mmHg at 25°C (9) Melting Point: 300°C
(10) Storage temp: -20°C (11) Solubility : H2O: 20 mg/mL
3.Structure descriptors of 5-Bromo-4-chloro-3-indolyl phosphate disodium salt
SMILES: [Na+].[Na+].[O-]P([O-])(=O)Oc2c1c(ccc(Br)c1Cl)nc2
InChI: InChI=1/C8H6BrClNO4P.2Na/c9-4-1-2-5-7(8(4)10)6(3-11-5)15-16(12,13)14;;/h1-3,11H,(H2,12,13,14);;/q;2*+1/p-2
InChIKey: OAZUOCJOEUNDEK-NUQVWONBAN
Std. InChI: InChI=1S/C8H6BrClNO4P.2Na/c9-4-1-2-5-7(8(4)10)6(3-11-5)15-16(12,13)14;;/h1-3,11H,(H2,12,13,14);;/q;2*+1/p-2
Std. InChIKey: OAZUOCJOEUNDEK-UHFFFAOYSA-L
4.Safety information of 5-Bromo-4-chloro-3-indolyl phosphate disodium salt
Hazard Codes: 
Xn
Risk Statements: 20/21/22-36/37/38
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-36-26
S22: Do not breathe dust.
S24/25:When 1H-Indol-3-ol,5-bromo-4-chloro-,3-(dihydrogen phosphate), sodium salt (1:2) (CAS NO.102185-33-1) is used, avoid contact with skin and eyes.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
WGK Germany: 3
F: 8-10-21
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