3-tert-Butylaniline

HCID 79334CAS 5369-19-7

기본 정보

표준 SMILES: CC(C)(C)c1cccc(N)c1
InChIKey: DPKTVUKEPNBABS-UHFFFAOYSA-N
분자식: C10H15N
평균 분자량: 149.23 g/mol
단동위원소 질량: 149.12044948

이름 및 식별자

우선 이름: 3-tert-Butylaniline
IUPAC: 3-tert-butylaniline
영어명: 3-(Tert-butyl)aniline
분자식: C10H15N
분자량: 149.23

이름 및 동의어

3-tert-Butylaniline5369-19-7EINECS 226-361-6DTXSID30201942RefChem:505393DTXCID60124433226-361-63-(tert-Butyl)anilineMFCD001250783-tert-butyl-phenylaminem-t-butylanilinem-tert-butylaniline

이름 더 보기

BUTTPARK 43\57-253-(T-BUTYL)ANILINEAniline, m-tert-butyl-3-tert-Butylaniline >3-tert-Butylaniline 98%3-tert-Butylaniline, 97%

3-tert.butyl-aniline3-(tert-butyl)phenylamineAKOS005256308AS-56713-tert-butylbenzenamine3-tert-butylphenylamineBenzenamine, 3-(1,1-dimethylethyl)-3-(tert-butyl)-aniline

데이터베이스 식별자

CAS: 5369-19-7
PubChem CID: 79334
DTXSID: DTXSID30201942
EC Number: 226-361-6
Nikkaji: J217.931H

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: 123

물리화학적 성질

끓는 점: 140 °C · 140 °C
밀도: 0.942 · 0.942±0.06 g/cm3(Predicted)
굴절률: 1.539 · 1.5390-1.5430
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: 투명한 액체
산도 계수 (pKa): 4.69 · 4.69±0.10(Predicted)
색상: Light orange to Yellow to Green
InChI: 1S/C10H15N/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7H,11H2,1-3H3
InChIKey: DPKTVUKEPNBABS-UHFFFAOYSA-N
SMILES: CC(C)(C)c1cccc(N)c1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (18.2%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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 11 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (90.9%)

안전 데이터

wgk: WGK 3
HS 번호: 2921490090
risk_code: 20/21/22-36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39
위험 참고 사항: Irritant
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도3-(Tert-butyl)aniline is an important pharmaceutical and pesticide intermediate. The meta-tert-butylphenol obtained by acidification and other steps can be used as a synthetic raw material for the fungicide etoxazole and the antioxidant anoxazole.