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40432-84-6

40432-84-6 Structure

40432-84-6 Structure
IdentificationMore
[Name]

5-BROMOINDOLE-3-ACETIC ACID
[CAS]

40432-84-6
[Synonyms]

(5-BROMO-1H-INDOL-3-YL)-ACETIC ACID
5-BROMOINDOLE-3-ACETIC ACID
5-bromo-3-indoleacetic acid
5-BROMOINDOLE-3-ACETIC ACID 99%
5-Br-IAA
5-Bromo-1H-indole-3-acetic acid
[EINECS(EC#)]

254-917-8
[Molecular Formula]

C10H8BrNO2
[MDL Number]

MFCD00005637
[Molecular Weight]

254.08
[MOL File]

40432-84-6.mol
Chemical PropertiesBack Directory
[Appearance]

OFF-WHITE TO BEIGE CRYSTALLINE POWDER
[Melting point ]

143-145 °C (lit.)
[Boiling point ]

466.0±30.0 °C(Predicted)
[density ]

1.6254 (rough estimate)
[refractive index ]

1.6320 (estimate)
[storage temp. ]

Refrigerator (+4°C)
[form ]

Crystalline Powder
[pka]

4.36±0.30(Predicted)
[color ]

Off-white to beige
[InChI]

1S/C10H8BrNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3H2,(H,13,14)
[InChIKey]

WTFGHMZUJMRWBK-UHFFFAOYSA-N
[SMILES]

OC(=O)Cc1c[nH]c2ccc(Br)cc12
[CAS DataBase Reference]

40432-84-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

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 ]

S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

OFF-WHITE TO BEIGE CRYSTALLINE POWDER
[Uses]

5-Bromoindole-3-acetic Acid can be used as reactant/reagent for design and synthesis and evaluation of novel auxin mimic herbicides for weed control activity.
[Synthesis Reference(s)]

Tetrahedron Letters, 35, p. 3013, 1994 DOI: 10.1016/S0040-4039(00)76815-8
Spectrum DetailBack Directory
[Spectrum Detail]

5-BROMOINDOLE-3-ACETIC ACID(40432-84-6)1HNMR
5-BROMOINDOLE-3-ACETIC ACID(40432-84-6)FT-IR
5-BROMOINDOLE-3-ACETIC ACID(40432-84-6)IR
5-BROMOINDOLE-3-ACETIC ACID(40432-84-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-Bromoindole-3-acetic acid, 99%(40432-84-6)
[Alfa Aesar]

5-Bromoindole-3-acetic acid, 97%(40432-84-6)
[Sigma Aldrich]

40432-84-6(sigmaaldrich)
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