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Substance Name: 1-tert-Butyl-3-nitrobenzene
RN: 23132-52-7
InChIKey: ZKRDQLBHUZNPGZ-UHFFFAOYSA-N

Molecular Formula

  • C10-H13-N-O2

Molecular Weight

  • 179.218
 
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Names and Synonyms

Synonym

  • EINECS 245-443-2

Systematic Name

  • 1-tert-Butyl-3-nitrobenzene

Registry Numbers

CAS Registry Number

  • 23132-52-7

System Generated Number

  • 0023132527

Structure Descriptors

InChI

1S/C10H13NO2/c1-10(2,3)8-5-4-6-9(7-8)11(12)13/h4-7H,1-3H3

InChIKey

ZKRDQLBHUZNPGZ-UHFFFAOYSA-N

Smiles

[N+](c1cc(C(C)(C)C)ccc1)([O-])=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 2 deg C   EXP
Boiling Point 254 deg C   EXP
log P (octanol-water) 3.720 (none)   EST
Atmospheric OH Rate Constant 8.77E-13 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.