2-아미노-4-테르트-부틸페놀

2-Amino-4-tert-butylphenol

HCID 70982

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1199-46-8
표준 SMILES: CC(C)(C)c1ccc(O)c(N)c1
InChIKey: RPJUVNYXHUCRMG-UHFFFAOYSA-N
분자식: C10H15NO
평균 분자량: 165.23 g/mol
단동위원소 질량: 165.1153641

개요

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

이름 및 식별자

우선 이름: 2-Amino-4-tert-butylphenol
IUPAC: 2-amino-4-tert-butylphenol
현지명: 2-아미노-4-테르트-부틸페놀
영어명: 2-Amino-4-tert-butylphenol
분자식: C10H15NO
분자량: 165.23

이름 및 동의어

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

이름 더 보기

2-아미노-4-테르트-부틸페놀hydrogen 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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 46.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 150

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 160 · 160-163 °C(lit.)
끓는 점: 293.09 °C · 293.09°C (rough estimate)
밀도: 1.0203 · 1.0203 (rough estimate)
굴절률: 1.529 · 1.5290 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 9.97 · 9.97±0.18(Predicted)
색상: 흰색에서 갈색으로
InChI: InChI=1S/C10H15NO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,11H2,1-3H3
InChIKey: RPJUVNYXHUCRMG-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(C(C)(C)C)C=C1N

화학적 성질

BEIGE TO BROWN CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
HS 번호: 29222990
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-37/39
기존화학 물질: 2001-3-1706
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도2-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.