2-클로로-4,5-DIAMINOBENZOTRIFLUORIDE

4-Chloro-5-(trifluoromethyl)benzene-1,2-diamine

HCID 2773497CAS 157590-59-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1cc(Cl)c(C(F)(F)F)cc1N
InChIKey: BUSGYQISMPLVIJ-UHFFFAOYSA-N
분자식: C7H6ClF3N2
평균 분자량: 210.58 g/mol
단동위원소 질량: 210.01716053

이름 및 식별자

우선 이름: 4-Chloro-5-(trifluoromethyl)benzene-1,2-diamine
IUPAC: 4-chloro-5-(trifluoromethyl)benzene-1,2-diamine
현지명: 2-클로로-4,5-DIAMINOBENZOTRIFLUORIDE
영어명: 2-Chloro-4,5-diaminobenzotrifluoride
분자식: C7H6ClF3N2
분자량: 210.58

이름 및 동의어

157590-59-54-chloro-5-(trifluoromethyl)benzene-1,2-diamineDTXSID00378498RefChem:291734DTXCID40329525695-217-62-Amino-4-chloro-5-(trifluoromethyl)aniline2-Amino-4-chloro-5-(trifluoromethyl)phenylamine1,2-Benzenediamine, 4-chloro-5-(trifluoromethyl)-MFCD001195502-Chloro-4,5-diaminobenzotrifluoride4-Chloro-5-trifluoromethyl-o-phenylenediamine

이름 더 보기

2-클로로-4,5-DIAMINOBENZOTRIFLUORIDE4-Chloro-5-(trifluoromethyl)4-CHLORO-5-TRIFLUOROMETHYL-BENZENE-1,2-DIAMINE4-Chloro-5-trifluoromethyl-o-phenylenediamine,95%

4-chloro-5-(trifluoromethyl)-1,2-benzenediamine5-chloro-4-(trifluoromethyl)benzene-1,2-diamine4-Chloro-5-triflSCHEMBL440693CHEMBL4940710SCHEMBL29770447SBB0943983,4-diamino-6-chlorobenzotrifluoride

데이터베이스 식별자

CAS: 157590-59-5
PubChem CID: 2773497
DTXSID: DTXSID00378498
ChEMBL: CHEMBL4940710
EC Number: 695-217-6
Nikkaji: J1.162.290I

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 52 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 13
형식 전하: 0
복잡도: 185

물리화학적 성질

녹는점: 61 · 61-63°
끓는 점: 305.1 · 305.1±42.0 °C(Predicted)
밀도: 1.51 · 1.510
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 2.3 · 2.30±0.10(Predicted)
물리적 상태: 고체
색상: 흰색에서 갈색으로
수용성: 물에 약간 용해됩니다.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.