2-Iodo-4-(trifluoromethyl)aniline

HCID 2783322

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 163444-17-5
표준 SMILES: Nc1ccc(C(F)(F)F)cc1I
InChIKey: UKKWTZPXYIYONW-UHFFFAOYSA-N
분자식: C7H5F3IN
평균 분자량: 287.02 g/mol
단동위원소 질량: 286.94188182

이름 및 식별자

우선 이름: 2-Iodo-4-(trifluoromethyl)aniline
IUPAC: 2-iodo-4-(trifluoromethyl)aniline
영어명: 4-Amino-3-iodobenzotrifluoride
분자식: C7H5F3IN
분자량: 287.02

이름 및 동의어

2-iodo-4-(trifluoromethyl)anilineRefChem:473685642-834-34-Amino-3-iodobenzotrifluoride163444-17-5Benzenamine, 2-iodo-4-(trifluoromethyl)-MFCD026830972-iodo-4-trifluoromethylaniline2-iodo-4-(trifluoromethyl)benzenamine2-iodo-4-trifluoromethyl aniline2-iodo-4-trifluoromethyl-aniline16344-17-5

이름 더 보기

3-iodo-4-aminobenzotrifluoride4-Amino-3-iodobenzotrifluoride,98%2-Iodo-4-(trifluoromethyl)aniline>2-iodo-4-(trifluoroMethyl)benzenaMine4-amino-3-iodo-trifluoromethylbenzene2-Iodo-4-(trifluoromethyl)aniline【4-Amino-3-iodobenzotrifluoride】

AC-2327SB82076EN300-849324-(trifluoromethyl)-2-iodobenzenamine2-Iodo-(4-trifluoromethyl)aniline4-amino-3-iodo-1-trifluoromethyl benzeneSCHEMBL4375244-trifluoromethyl-2-iodo-aniline

데이터베이스 식별자

CAS: 163444-17-5
PubChem CID: 2783322
DTXSID: DTXSID50382580
EC Number: 642-834-3
Nikkaji: J1.682.638C

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 159

물리화학적 성질

녹는점: 50 °C · 50 °C
끓는 점: 252.8 · 252.8±40.0 °C(Predicted)
밀도: 1.948 · 1.948±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 0.7 · 0.70±0.10(Predicted)
색상: 밝은 노란색에서 갈색까지
InChI: InChI=1S/C7H5F3IN/c8-7(9,10)4-1-2-6(12)5(11)3-4/h1-3H,12H2
InChIKey: UKKWTZPXYIYONW-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(C(F)(F)F)C=C1I

화학적 성질

light brown powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (11.1%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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