부틸아민(4-터셔리)
4-Tert-Butylaniline
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기본 정보
- CAS
769-92-6- 표준 SMILES
CC(C)(C)c1ccc(N)cc1- InChIKey
WRDWWAVNELMWAM-UHFFFAOYSA-N- 분자식
- C10H15N
- 평균 분자량
- 149.23 g/mol
- 단동위원소 질량
- 149.12044948
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 물성보충 중
- XLogP
- 2.7
- 극성 표면적
- 26 Ų
- 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
1270.4
2011
Collision Cross Section147.6 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0048181]；147.3 Ų [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.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
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
Chemical: Benzenamine, 4-(1,1-dimethylethyl)-
화학 및 산업
응용 분야
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.
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