2-Amino-4-tert-butylphenol

HCID 70982
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
1199-46-8
Standard SMILES
CC(C)(C)c1ccc(O)c(N)c1
InChIKey
RPJUVNYXHUCRMG-UHFFFAOYSA-N
Molecular formula
C10H15NO
Average molar mass
165.23 g/mol
Monoisotopic mass
165.1153641

Overview

inhibits peroxidase-catalyzed oxidation of 3,3',5,5'-tetramethylbenzidine

Names & identifiers

Preferred name
2-Amino-4-tert-butylphenol
IUPAC
2-amino-4-tert-butylphenol
English name
2-Amino-4-tert-butylphenol
Molecular formula
C10H15NO
Molecular weight
165.23

Names & synonyms

2-Amino-4-tert-butylphenol1199-46-828021LMQ3DNSC-23803DTXSID60152615ATBP cpdRefChem:464377DTXCID0075106214-844-42-amino-4-(tert-butyl)phenolPhenol, 2-amino-4-(1,1-dimethylethyl)-2-Amino-4-tert-butyl-phenol
Show more names
hydrogen arsorite2-Amino-4-tert-butyLT-BUTYL-O-AMINOPHENOLo-Amino-p-tert-butylphenolp-tert-Butyl-o-aminophenol2-Amino-4tertutyl plenol2-HYDROXY-5-TERT-BUTYLANILINE
2-amino-4-t-butylphenol4-tert-butyl-2-aminophenolMFCD00007698Oprea1_1289022-azanyl-4-tert-butyl-phenolMLS000036528HMS1474O17NSC 23803

Database identifiers

CAS
1199-46-8
PubChem CID
70982
DTXSID
DTXSID60152615
ChEMBL
CHEMBL1321329
UNII
28021LMQ3D
EC Number
214-844-4
Nikkaji
J31.051D

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
46.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
12

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point
160 · 160-163 °C(lit.)
Boiling point
293.09 °C · 293.09°C (rough estimate)
Density
1.0203 · 1.0203 (rough estimate)
refractive index
1.529 · 1.5290 (estimate)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
29222990
risk_code
20/21/22-36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 1 item

Uses2-Amino-4-tert-butylphenol can be used as a reactant to prepare: 4-tert-butyl-2-[(pyridylmethylene)amino]phenol intermediates, which are used to synthesize biologically important 2-(pyridyl)benzoxazole derivatives.Prolinamide phenols, as efficient hydrophobic organocatalysts for direct asymmetric aldol reaction aldehydes and ketones in water.N-(2-hydroxy-4-tert-butylphenyl)-acetamide, a key intermediate to prepare uranylsalophene derivatives which can be used as selective receptors in anion sensitive membrane sensors.Poly(2-amino-4-tert-butylphenol) [poly(2A-4TBP)] by electrochemical or chemical oxidative polymerization reaction.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]

Related reactions

23 records
New reaction record

Compound notes

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