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Merck
CN

657972

5-(4-Chlorophenyl)isoxazole-3-propionic acid

97%

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About This Item

Empirical Formula (Hill Notation):
C12H10ClNO3
CAS Number:
870704-00-0
Molecular Weight:
251.67
NACRES:
NA.22
PubChem Substance ID:
24884158
UNSPSC Code:
12352100
MDL number:
MFCD08276789

Key Documents

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InChI

1S/C12H10ClNO3/c13-9-3-1-8(2-4-9)11-7-10(14-17-11)5-6-12(15)16/h1-4,7H,5-6H2,(H,15,16)

SMILES string

OC(=O)CCc1cc(on1)-c2ccc(Cl)cc2

InChI key

RHKHSBMLUYKYIZ-UHFFFAOYSA-N

assay

97%

form

solid

mp

159-163 °C

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

13 - Non Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
14510KD

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