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21120-68-3

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21120-68-3 Structure

21120-68-3 Structure
IdentificationBack Directory
[Name]

4-(4-BROMOPHENOXY)BENZOIC ACID 97
[CAS]

21120-68-3
[Synonyms]

Benzoic acid, 4-(4-bromophenoxy)-
4-(4-BROMOPHENOXY)BENZOIC ACID 97
JR-7131, 4-(4-Bromophenoxy)benzoic acid, 97%
[Molecular Formula]

C13H9BrO3
[MDL Number]

MFCD01244945
[MOL File]

21120-68-3.mol
[Molecular Weight]

293.11
Chemical PropertiesBack Directory
[Melting point ]

187-190 °C
[Boiling point ]

407.0±25.0 °C(Predicted)
[density ]

1.553±0.06 g/cm3(Predicted)
[form ]

solid
[pka]

4.27±0.10(Predicted)
[InChI]

1S/C13H9BrO3/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8H,(H,15,16)
[InChIKey]

GQZGWHFUVISZQO-UHFFFAOYSA-N
[SMILES]

OC(=O)c1ccc(Oc2ccc(Br)cc2)cc1
Safety DataBack Directory
[Hazard Codes ]

Xn,N
[Risk Statements ]

22-36-43-50/53
[Safety Statements ]

26-36/37-60-61
[RIDADR ]

UN 3077 9 / PGIII
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Acute 1
Eye Irrit. 2
Skin Sens. 1
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