(3-(Trifluoromethyl)phenyl)hydrazine

HCID 98650CAS 368-78-5

기본 정보

표준 SMILES: NNc1cccc(C(F)(F)F)c1
InChIKey: RSESUCWJKLHXEZ-UHFFFAOYSA-N
분자식: C7H7F3N2
평균 분자량: 176.14 g/mol
단동위원소 질량: 176.05613288

이름 및 식별자

우선 이름: (3-(Trifluoromethyl)phenyl)hydrazine
IUPAC: [3-(trifluoromethyl)phenyl]hydrazine
영어명: 3-(Trifluoromethyl)phenylhydrazine
분자식: C7H7F3N2
분자량: 176.14

이름 및 동의어

368-78-5[3-(trifluoromethyl)phenyl]hydrazine(3-(Trifluoromethyl)phenyl)hydrazineDTXSID60190274EINECS 206-713-5NSC 157345RefChem:399780DTXCID70112765206-713-53-(Trifluoromethyl)phenylhydrazineHydrazine, [3-(trifluoromethyl)phenyl]-MFCD00025093

이름 더 보기

SKL725NSC269918T0507-8296AKOS B0288183-(Trifluoromeà,à,à-trifluoro-m-tolylhydrazineM-TRIFLUOROMETHYLPHENYL HYDRAZINE3-(Trifluoromethyl)phenylhydrazine97%

3-trifluoromethylphenylhydrazineEnamine_0012614ZGA5B6Z3H3-trifluoromethyl-phenylhydrazine3-(trifluoromethyl)-phenylhydrazineA823421NSC-1573451-[3-(Trifluoromethyl)phenyl]hydrazine

데이터베이스 식별자

CAS: 368-78-5
PubChem CID: 98650
DTXSID: DTXSID60190274
UNII: 4ZGA5B6Z3H
EC Number: 206-713-5
Nikkaji: J213.555H

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 38.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 146

실험 및 물리화학적 성질

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

물리화학적 성질

끓는 점: 80 · 80-83 °C9 mm Hg(lit.)
밀도: 1.348 g/mL · 1.348 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.504(lit.)
인화점: 225 °F · 225 °F
저장 조건: Refrigerator, under inert atmosphere
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 액체
산도 계수 (pKa): 4 · 4+-.0.10(Predicted)
색상: 투명한 노란색에서 주황색, 갈색까지
수용성: 물과 섞이거나 혼합하기 어렵지 않습니다.
BRN: 640075 · 640075
InChI: 1S/C7H7F3N2/c8-7(9,10)5-2-1-3-6(4-5)12-11/h1-4,12H,11H2
InChIKey: RSESUCWJKLHXEZ-UHFFFAOYSA-N
SMILES: NNc1cccc(c1)C(F)(F)F

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]

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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.9%)

안전 데이터

wgk: 3
ridadr: 2810
HS 번호: 29280090
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-37/39-36/37/39-36
위험 등급: IRRITANT, IRRITANT-HARMFUL
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids