3-피리딘-4-일라닐린

3-(4-Pyridyl)aniline

HCID 459523

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 40034-44-4
표준 SMILES: Nc1cccc(-c2ccncc2)c1
InChIKey: BDSBSHZVSVKIHM-UHFFFAOYSA-N
분자식: C11H10N2
평균 분자량: 170.21 g/mol
단동위원소 질량: 170.08439833

이름 및 식별자

우선 이름: 3-(4-Pyridyl)aniline
IUPAC: 3-pyridin-4-ylaniline
현지명: 3-피리딘-4-일라닐린
영어명: 3-Pyridin-4-ylaniline
분자식: C11H10N2
분자량: 170.21

이름 및 동의어

40034-44-43-(4-Pyridyl)anilineEINECS 254-760-53-(4-Pyridinyl)benzenamineDTXSID50193092RefChem:493404DTXCID60115583254-760-53-pyridin-4-ylaniline3-(Pyridin-4-yl)aniline4-(3-Aminophenyl)pyridineBenzenamine, 3-(4-pyridinyl)-

이름 더 보기

3-피리딘-4-일라닐린AKOS BAR-2461Compound Fr121123-(4-PYRIDINYL)ANILINE3-(PYRINDIN-4-YL)ANILINE3-(Pyridin-4-yl)aniline97%

MFCD009567583-(4-pyridyl)phenylamine3-pyridin-4-yl-phenylamine3-(pyridin-4-yl)benzenamine3-(4-Pyridinyl)-benzenamine3-(4-Pyridyl) aniline4-(m-Aminophenyl)pyridineSCHEMBL583534

데이터베이스 식별자

CAS: 40034-44-4
PubChem CID: 459523
DTXSID: DTXSID50193092
ChEBI: CHEBI:195078
EC Number: 254-760-5
Nikkaji: J89.332C

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 38.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 152

물리화학적 성질

녹는점: 167 °C · 167 °C
끓는 점: 353.6 · 353.6±25.0 °C(Predicted)
밀도: 1.133 · 1.133±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
물리적 상태: 고체
산도 계수 (pKa): 5.33 · 5.33±0.26(Predicted)
색상: 연한 갈색
InChI: 1S/C11H10N2/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-8H,12H2
InChIKey: BDSBSHZVSVKIHM-UHFFFAOYSA-N
SMILES: Nc1cccc(c1)-c2ccncc2

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 2 reports by companies from 2 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

Hazard Classes and CategoriesAcute Tox. 3 (50%)；Acute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (50%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (50%)；STOT SE 3 (50%)

안전 데이터

wgk: WGK 3
HS 번호: 2933399990
risk_code: 22-36
hazard_code: Xn
safety_code: 26
위험 참고 사항: Harmful
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects