2-Fluoro-4-iodoaniline

HCID 185694CAS 29632-74-4

기본 정보

표준 SMILES: Nc1ccc(I)cc1F
InChIKey: CUMTUBVTKOYYOU-UHFFFAOYSA-N
분자식: C6H5FIN
평균 분자량: 237.01 g/mol
단동위원소 질량: 236.94507538

이름 및 식별자

우선 이름: 2-Fluoro-4-iodoaniline
IUPAC: 2-fluoro-4-iodoaniline
영어명: 2-Fluoro-4-iodoaniline
분자식: C6H5FIN
분자량: 237.01

이름 및 동의어

2-Fluoro-4-iodoaniline29632-74-4Benzenamine, 2-fluoro-4-iodo-NSC-146507UT398XXP8YDTXSID50952101RefChem:472360DTXCID801380201608-384-72-Fluoro-4-iodo-phenylamineMFCD000117382-fluoro-4-iodobenzenamine

이름 더 보기

uoro-4-iodoaniL2-Fluor-4-Iodanilin2-fluo-4-iodoaniline2-Fluoro-4-iodoanili2-fluro-4-iodoaniline2-Fluoro-4-idioaniline4-iodo-o-fluoroaniline2-FLORO 4-IODO ANILINE

4-iodo-2-fluoroaniline2-fluoro-4-iodophenylamineTrametinib impurity 92-fluoro-4-iodaniline4-iodo-2-fluoro aniline2-fluoro-4-iodo-benzenamineCS-W002069F0417

데이터베이스 식별자

CAS: 29632-74-4
PubChem CID: 185694
DTXSID: DTXSID50952101
UNII: UT398XXP8Y
EC Number: 608-384-7
Nikkaji: J796.424B

물성

구조 계산 물성

XLogP: 2
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 99.1

물리화학적 성질

녹는점: 55 · 55-57 °C (lit.)
끓는 점: 248.6 · 248.6±25.0 °C(Predicted)
밀도: 2.008 · 2.008±0.06 g/cm3(Predicted)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 2.41 · 2.41±0.10(Predicted)
물리적 상태: 가루
색상: 황백색에서 갈색까지
수용성: 불용성
BRN: 2081100 · 2081100
InChIKey: CUMTUBVTKOYYOU-UHFFFAOYSA-N
LogP: 2.68 · 2.680 (est)

화학적 성질

off-white to brown powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (12.5%): 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (12.5%)

안전 데이터

wgk: 3
ridadr: PG3
HS 번호: 29214200
risk_code: 36/37/38-20/21/22
hazard_code: Xi,T,Xn
safety_code: 26-36-37/39-26/37/39
위험 등급: IRRITANT-HARMFUL, LIGHT SENSITIVE
위험 참고 사항: Toxic

화학 및 산업

응용 분야 · 2건

용도2-Fluoro-4-iodoaniline is widely used in the pharmaceutical, chemical and food industries as a fundamental building block to create a variety of important compounds.

일반 설명The profiling of iodine-containing metabolites produced by the earthworm Eisenia veneta by exposing it to 2-fluoro-4-iodoaniline was carried out using high-performance liquid chromatography/inductively coupled plasma mass spectrometry (HPLC/ICPMS).