117391-57-8

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117391-57-8 Structure

Identification	More
[Name] 3-AMINO-3-(3,4-DICHLORO-PHENYL)-PROPIONIC ACID
[CAS] 117391-57-8
[Synonyms] BIO-FARMA BF000148 VITAS-BB TBB000068 RARECHEM AK HC T316 4-dichloro-phenyl)-DL-beta-alanine 3-(3,4-DICHLOROPHENYL)-BETA-ALANINE 3-(3,4-Dichloro-phenyl)-DL-beta-alanine Benzenepropanoic acid, β-amino-3,4-dichloro- 3-AMINO-3-(3,4-DICHLOROPHENYL)PROPANOIC ACID 3-AMINO-3-(3,4-DICHLORO-PHENYL)-PROPIONIC ACID DL-3-AMINO-3-(3,4-DICHLORO-PHENYL)-PROPIONIC ACID
[Molecular Formula] C9H9Cl2NO2
[MDL Number] MFCD00462884
[Molecular Weight] 234.08
[MOL File] 117391-57-8.mol

Chemical Properties	Back Directory
[Melting point ] 224-226°C
[Boiling point ] 371.9±42.0 °C(Predicted)
[density ] 1.447±0.06 g/cm3(Predicted)
[storage temp. ] Store at Room Tem.
[form ] solid
[pka] 3.54±0.10(Predicted)
[InChI] 1S/C9H9Cl2NO2/c10-6-2-1-5(3-7(6)11)8(12)4-9(13)14/h1-3,8H,4,12H2,(H,13,14)
[InChIKey] ACJWNKAQMZQVBW-UHFFFAOYSA-N
[SMILES] NC(CC(O)=O)C(C=C1)=CC(Cl)=C1Cl
[CAS DataBase Reference] 117391-57-8(CAS DataBase Reference)

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H302-H315-H319-H335
[Precautionary statements ] P261-P305+P351+P338
[Hazard Codes ] Xn
[Risk Statements ] 22
[WGK Germany ] WGK 3
[HazardClass ] IRRITANT
[HS Code ] 2922498590
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Acute Tox. 4 Oral

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