4-Tert-Butylaniline (HCID 69861)

이름 및 식별자

우선 이름: 4-Tert-Butylaniline
IUPAC: 4-tert-butylaniline
현지명: 부틸아민(4-터셔리)
영어명: 4-tert-Butylaniline
분자식: C10H15N
분자량: 149.23

이름 및 동의어

4-tert-Butylanilinep-tert-Butylanilinep-t-Butylaniline4-t-Butylbenzeneamine4-tert-Butylbenzeneamine4-tert-ButylbenzenamineAniline, p-tert-butyl-DTXSID0048181Aniline, 4-tert-butyl-4-(1,1-dimethylethyl)benzenamineUNII-47H9440ZOW4-(t-Butyl)aniline

이름 더 보기

4-TERT-뷰틸아닐린부틸아민(4-터셔리)ZR DX1&1&1Compound Fr14181BUTTPARK 44\03-77p-tert-ButylanilinTIMTEC-BB SBB0077384-t-Butylaniline 99%

DTXCID602815547H9440ZOWEINECS 212-215-94-Amino-tert-butylbenzeneWRDWWAVNELMWAM-UHFFFAOYSA-RefChem:100509212-215-9InChI=1/C10H15N/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,11H2,1-3H3

데이터베이스 식별자

CAS: 769-92-6
PubChem CID: 69861
DTXSID: DTXSID0048181
ChEMBL: CHEMBL1800270
UNII: 47H9440ZOW
EC Number: 212-215-9
Nikkaji: J193.149K

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 115

실험 및 물리화학적 성질

Kovats Retention Index · 2건

1270.4

2011

Collision Cross Section147.6 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0048181]；147.3 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID0048181]

물리화학적 성질

녹는점: 15 · 15-16 °C (lit.)
끓는 점: 90 · 90-93 °C/3 mmHg (lit.)
밀도: 0.937 g/mL · 0.937 g/mL at 25 °C (lit.)
증기압: 5.34 · 5.34-5.77Pa at 25℃
굴절률: 20 · n20/D 1.538(lit.)
인화점: 215 °F · 215 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 액체
산도 계수 (pKa): 1 · pK1: 3.78(+1) (25°C)
Specific Gravity: 0.937 · 0.937
색상: 주황색-빨간색에서 갈색까지
수용성: 물에 불용성.
BRN: 2205786 · 2205786
InChI: 1S/C10H15N/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,11H2,1-3H3
InChIKey: WRDWWAVNELMWAM-UHFFFAOYSA-N
SMILES: CC(C)(C)c1ccc(N)cc1
LogP: 2.7 · 2.7-2.99
NIST: 4 · 4-Tert-butylbenzeneamine(769-92-6)

화학적 성질

clear orange-red to brownish liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (62.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (11.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (87.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (89.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (46.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (86.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 103 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 2건

Chemical: Benzenamine, 4-(1,1-dimethylethyl)-

Status: Active Update: 27-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23433

Hazard Classes and CategoriesAcute Tox. 4 (62.1%)；Skin Corr. 1B (11.7%)；Skin Irrit. 2 (87.4%)；Eye Irrit. 2 (89.3%)；Acute Tox. 4 (46.6%)；STOT SE 3 (86.4%)

규제 정보

Regulatory Information · 2건

Chemical: Benzenamine, 4-(1,1-dimethylethyl)-

Status: Active Update: 27-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23433

안전 데이터

wgk: 2
HS 번호: 29214980
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도4-tert-Butylaniline reacts with formic acid to produce formic acid-(4-tert-butyl-anilide). This reaction could happen in the presence of the solvent of toluene in the condition of heating. 4-tert-Butylaniline is used in the synthesis of 4-tert-Butyl-4,4-dinitrotriphenylamine, new triphenylamine-containing diamine monomer and 2-oxopyrimido[4,5-d]pyrimidin-5(6H)-one.

일반 설명Schiff base formation reaction between 4-tert-butylaniline and 4-tert-butylbenzaldehyde in ethanol has been carried out using the matrix-assisted laser desorption ionization-chip system.