CAS 6656-72-0 2,6-Dichloro-3-(trifluoromethyl)aniline (HCID 13470473)

기본 정보

CAS: 6656-72-0
표준 SMILES: Nc1c(Cl)ccc(C(F)(F)F)c1Cl
InChIKey: NKCROTQPQZXJOL-UHFFFAOYSA-N
분자식: C7H4Cl2F3N
평균 분자량: 230.01 g/mol
단동위원소 질량: 228.967289

이름 및 식별자

우선 이름: 2,6-Dichloro-3-(trifluoromethyl)aniline
IUPAC: 2,6-dichloro-3-(trifluoromethyl)aniline
현지명: 2,6-디클로로-3-트리플루오로메틸아닐린
영어명: 2,6-Dichloro-3-trifluoromethyl aniline
분자식: C7H4Cl2F3N
분자량: 230.01

이름 및 동의어

2,6-Dichloro-3-(trifluoromethyl)aniline6656-72-0MFCD112262792,6-dichloro-3-trifluoromethyl aniline2,6-Dichloro-3-trifluoromethylanilineSCHEMBL374673SBB0975202,6-dichloro-3-trifluoromethyl-anilinAKOS015956604JS-48562,6-dichloro-3-trifluoromethyl-aniline2,6-dichloro-3-(trifluoromethyl)phenylamine

이름 더 보기

2,6-디클로로-3-트리플루오로메틸아닐린2,4-dichloro-3-aminobenzotrifluoride2,6-dichloro-3-(trifluoroMethyl)benzenaMine2,6-Dichloro-3-(trifluoromethyl)aniline,97%Benzenamine, 2,6-dichloro-3-(trifluoromethyl)-2,6-Dichloro-3-(trifluoroMethyl)aniline, JRD, 97%

G61895EN300-1642542F343007

데이터베이스 식별자

CAS: 6656-72-0
PubChem CID: 13470473
EC Number: 678-994-6

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 13
형식 전하: 0
복잡도: 185

물리화학적 성질

끓는 점: 98.5 · 98.5-103 °C(Press: 9 Torr)
밀도: 1.542 · 1.542±0.06 g/cm3(Predicted)
굴절률: 1.523 · 1.5230
산도 계수 (pKa): -0.51 · -0.51±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.