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71026-66-9

71026-66-9 Structure

71026-66-9 Structure
IdentificationMore
[Name]

4-(TERT-BUTOXYCARBONYLAMINO)ANILINE
[CAS]

71026-66-9
[Synonyms]

(4-AMINO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER
4-(TERT-BUTOXYCARBONYLAMINO)ANILINE
BOC-1,4-PHENYLENEDIAMINE
N-BOC-1,4-PHENYLENE DIAMINE
N-BOC-P-PHENYLENEDIAMINE
N-TERT-BUTYLOXYCARBONYL-1,4-PHENYLENEDIAMINE
TERT-BUTYL-4-AMINOPHENYLCARBAMATE
Carbamic acid, (4-aminophenyl)-, 1,1-dimethylethyl ester (9CI)
N-tert-Butoxycarbonyl-p-phenylenediamine
N-(tert-butoxycarbonyl)-1,4-phenylenediamine
4-(tert-Butoxycarbonylamino)aniline, tert-Butyl-4-aminophenylcarbamate
(4-Aminophenyl)carbamic acid 1,1-dimethylethyl ester
N-(4-Aminophenyl)carbamic acid tert-butyl ester
N-(tert-Butoxycarbonyl)benzene-1,4-diamine
[EINECS(EC#)]

275-132-7
[Molecular Formula]

C11H16N2O2
[MDL Number]

MFCD00043022
[Molecular Weight]

208.26
[MOL File]

71026-66-9.mol
Chemical PropertiesBack Directory
[Appearance]

Beige to brownish crystalline powder
[Melting point ]

113-115 °C
[Boiling point ]

295.4±23.0 °C(Predicted)
[density ]

1.152±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

13.49±0.70(Predicted)
[color ]

White to Light yellow to Light orange
[BRN ]

2969618
[InChI]

InChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h4-7H,12H2,1-3H3,(H,13,14)
[InChIKey]

WIVYTYZCVWHWSH-UHFFFAOYSA-N
[SMILES]

C(OC(C)(C)C)(=O)NC1=CC=C(N)C=C1
[CAS DataBase Reference]

71026-66-9(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H317
[Precautionary statements ]

P280-P301+P312+P330-P302+P352
[Hazard Codes ]

Xn,N
[Risk Statements ]

R22:Harmful if swallowed.
R43:May cause sensitization by skin contact.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S36/37:Wear suitable protective clothing and gloves .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ]

UN 3077 9/PG 3
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29242990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Skin Sens. 1
Hazard InformationBack Directory
[Chemical Properties]

Beige to brownish crystalline powder
[Uses]

N-Boc-p-phenylenediamine can be used as:
  • A reactant to prepare perylene monoimide-based dyes for dye-sensitized solar cell applications.
  • A starting material to synthesize covalent organic frameworks, which are used as proton exchange membranes for hydrogen fuel cell applications.
  • A reactant in the synthesis of bestatin derived hydroxamic acids as potent pan-HDAC inhibitors.

[reaction suitability]

reagent type: cross-linking reagent
[Synthesis]

In a 250mL three-necked flask equipped with a stirrer and a dropping funnel, 16.2g of sodium hydroxide and 40mL of distilled water were added, dissolved with uniform stirring, and cooled to 5°C with cold water. Add 15.7g of bromine under constant stirr

Spectrum DetailBack Directory
[Spectrum Detail]

4-(TERT-BUTOXYCARBONYLAMINO)ANILINE(71026-66-9)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

71026-66-9(sigmaaldrich)
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