2-Amino-5-(trifluoromethyl)pyridine

HCID 735862CAS 74784-70-6

기본 정보

표준 SMILES: Nc1ccc(C(F)(F)F)cn1
InChIKey: RSGVKIIEIXOMPY-UHFFFAOYSA-N
분자식: C6H5F3N2
평균 분자량: 162.11 g/mol
단동위원소 질량: 162.04048282

이름 및 식별자

우선 이름: 2-Amino-5-(trifluoromethyl)pyridine
IUPAC: 5-(trifluoromethyl)pyridin-2-amine
영어명: 5-(Trifluoromethyl)pyridin-2-amine
분자식: C6H5F3N2
분자량: 162.11

이름 및 동의어

2-Amino-5-(trifluoromethyl)pyridineRefChem:464492623-444-274784-70-65-(trifluoromethyl)pyridin-2-amine2-Amino-5-trifluoromethylpyridine5-(Trifluoromethyl)-2-pyridinamine2-PYRIDINAMINE, 5-(TRIFLUOROMETHYL)-MFCD00042164EN300-1147572-amino-5 -trifluoromethylpyridine5-(trifluoromethyl)-2-pyridylamine

이름 더 보기

JACS-74784-70-62-Amino-5-(trifLBUTTPARK 43\57-47TIMTEC-BB SBB0055005-(trifluoromethyl)p2-Amino-5-(trifluoromethy...2-Amino-5-trifuoromethylpyridine2-AMine-5-trifluoroMethylpyridine

5-(trifluoromethyl)-2-aminopyridineAKOS000265599FS-10682-Amino-5-(trifluoromethyl)pyridine, 97%5-trifluoromethyl-pyridin-2-ylamine5-(trifluoromethyl)pyridine-2-amine2-Amino-5-Trifluoromethyl Pyridine5-(Trifluoromethyl)-2-pyridinamine; 5-(Trifluoromethyl)pyridine-2ylamine; 5-Trifluoromethyl-2-aminopyridine; (5-Trifluoromethylpyridin-2-yl)amine;

데이터베이스 식별자

CAS: 74784-70-6
PubChem CID: 735862
DTXSID: DTXSID70352866
EC Number: 623-444-2
Nikkaji: J2.152.093D

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 38.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 134

물리화학적 성질

녹는점: 45 °C · 45 °C
끓는 점: 90 · 90-92/20mbar
밀도: 1 · 1,71g/cm
굴절률: 1 · 1,533
인화점: 104 °C · 104 °C
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 4.55 · 4.55±0.13(Predicted)
색상: 회백색
BRN: 4800784 · 4800784
InChI: InChI=1S/C6H5F3N2/c7-6(8,9)4-1-2-5(10)11-3-4/h1-3H,(H2,10,11)
InChIKey: RSGVKIIEIXOMPY-UHFFFAOYSA-N
SMILES: C1(N)=NC=C(C(F)(F)F)C=C1

화학적 성질

White to brown solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (96%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 75 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. 3 (96%)

안전 데이터

wgk: 3
ridadr: UN 2811 6.1/PG 3
HS 번호: 29333990
risk_code: 20/21/22-36/37/38-25
hazard_code: Xn,Xi,T
safety_code: 26-36/37/39-45-36
포장분류: III
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects