5-Bromo-4-chloro-3-indolyl phosphate p-toluidine salt supplier

Name
5-Bromo-4-chloro-3-indolyl phosphate p-toluidine salt
EINECS 229-506-1
CAS No. 6578-06-9
Article Data1
CAS DataBase
Density
Solubility DMF: 20mg/mL
Melting Point 194-195 °C
Formula C₈H₆BrClNO₄P^.C₇H₉N
Boiling Point 676.2 °C at 760 mmHg
Molecular Weight 433.626
Flash Point 362.7 °C
Transport Information
Appearance crystals
Safety 26
Risk Codes 36/37/38-40
Molecular Structure
Hazard Symbols Xi
Synonyms 5-BROMO-4-CHLORO-3-INDOYL PHOSPHATE, P-TOLUIDINE SALT;5-BROMO-4-CHLORO-3-INDOXYL PHOSPHATE, P-TOLUIDINE SALT;5-BROMO-4-CHLORO-1H-INDOL-3-YL PHOSPHATE P-TOLUIDINE;5-BROMO-4-CHLORO-3-INDOLYL PHOSPHATE P-TOLUIDINE;5-BROMO-4-CHLORO-3-INDOLYL PHOSPHATE P-TOLUIDINE SALT;5-BROMO-4-CHLORO-3-INDOLYL-PHOSPHATE 4-TOLUIDINE SALT;5-BROMO-4-CHLORO-3-INDOLYL PHOSPHATE, COMPOUNDED WITH 4-METHYLBENZENAMINE;5-BROMO-4-CHLORO-3-INDOLYPHOSPHATE P-TOLUIDINE SALT
PSA 118.38000
LogP 5.21370

5-Bromo-4-chloro-3-indolyl phosphate p-toluidine salt Specification

The IUPAC name of 5-Bromo-4-chloro-3-indolyl phosphate p-toluidine salt is (5-bromo-4-chloro-1H-indol-3-yl) dihydrogen phosphate; 4-methylaniline. With the CAS registry number 6578-06-9, it is also named as 1H-Indol-3-ol, 5-bromo-4-chloro-, dihydrogen phosphate (ester), compd. with 4-methylbenzenamine (1:1). The product's categories are Indoles; Simple Indoles. Besides, it is crystals, which should be stored in a dark and dry place at 2-8 °C. It is used as a substrate of alkaline phosphatase. In addition, its molecular formula is C₈H₆BrClNO₄P^.C₇H₉N and molecular weight is 433.62.

The other characteristics of 5-Bromo-4-chloro-3-indolyl phosphate p-toluidine salt can be summarized as: (1)EINECS: 229-506-1; (2)ACD/LogP: 2.87; (3)# of Rule of 5 Violations: 1; (4)#H bond acceptors: 6; (5)#H bond donors: 5; (6)#Freely Rotating Bonds: 3; (7)Rotatable Bond Count: 2; (8)Exact Mass: 431.964134; (9)MonoIsotopic Mass: 431.964134; (10)Topological Polar Surface Area: 109; (11)Heavy Atom Count: 24; (12)Complexity: 377; (13)Polar Surface Area: 121.21 Å²; (14)Flash Point: 362.7 °C; (15)Melting point: 194-195 °C; (16)Solubility: DMF: 20 mg/mL; (17)Enthalpy of Vaporization: 104.29 kJ/mol; (18)Boiling Point: 676.2 °C at 760 mmHg; (19)Vapour Pressure: 3.29E-19 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. And limited evidence of a carcinogenic effect. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES: Cc1ccc(N)cc1.[O-]P(O)(=O)Oc2cnc1ccc(Br)c(Cl)c12
(2)InChI: InChI=1/C8H6BrClNO4P.C7H9N/c9-4-1-2-5-7(8(4)10)6(3-11-5)15-16(12,13)14;1-6-2-4-7(8)5-3-6/h1-3,11H,(H2,12,13,14);2-5H,8H2,1H3/p-1
(3)InChIKey: QEIFSLUFHRCVQL-REWHXWOFAS

Product Name

5-Bromo-4-chloro-3-indolyl phosphate p-toluidine salt

5-Bromo-4-chloro-3-indolyl phosphate p-toluidine salt Specification

Related Products

Hot Products