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117391-57-8

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117391-57-8 Structure

117391-57-8 Structure
IdentificationMore
[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 PropertiesBack 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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
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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