(3-플루오로-4-(모르폴리닐)페닐)이소시아네이트

4-(2-Fluoro-4-isocyanatophenyl)morpholine

HCID 11009538

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 224323-51-7
표준 SMILES: O=C=Nc1ccc(N2CCOCC2)c(F)c1
InChIKey: JFYQLZHULWIALT-UHFFFAOYSA-N
분자식: C11H11FN2O2
평균 분자량: 222.22 g/mol
단동위원소 질량: 222.08045581

이름 및 식별자

우선 이름: 4-(2-Fluoro-4-isocyanatophenyl)morpholine
IUPAC: 4-(2-fluoro-4-isocyanatophenyl)morpholine
현지명: (3-플루오로-4-(모르폴리닐)페닐)이소시아네이트
영어명: (3-fluoro-4-(Morpholinyl)phenyl)isocyanate
분자식: C11H11FN2O2
분자량: 222.22

이름 및 동의어

224323-51-74-(2-Fluoro-4-isocyanatophenyl)morpholineRefChem:97054961-935-6(3-fluoro-4-(morpholinyl)phenyl)isocyanateMFCD23381074C11H11FN2O2Morpholine, 4-(2-fluoro-4-isocyanatophenyl)-4-(2-fluoro-4-isocyanato-phenyl)morpholineSCHEMBL2586326JFYQLZHULWIALT-UHFFFAOYSA-NDTXSID601269132

이름 더 보기

(3-플루오로-4-(모르폴리닐)페닐)이소시아네이트Linezolid Impurity 1082-(2-Fluoro-4-isocyanatophenyl)morpholine4-(2-Fluoro-4-isocyanatophenyl)morpholinee3-fluoro-4-(morpholin-4-yl)-phenyl isocyanate3-fluoro-4-(4'-morpholinyl)-1-phenyl isocyanate

3-Fluoro4-morpholinylphenylisocyanate3-Fluoro-4-MorpholinylphenylisocyanateAKOS028108837AS-332283-Fluoro-4-(morpholinyl)phenyl isocyanateDB-289876EN300-7402844F467194

데이터베이스 식별자

CAS: 224323-51-7
PubChem CID: 11009538
DTXSID: DTXSID601269132
EC Number: 961-935-6
Nikkaji: J3.527.271B

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 41.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 275

물리화학적 성질

InChI: InChI=1S/C11H11FN2O2/c12-10-7-9(13-8-15)1-2-11(10)14-3-5-16-6-4-14/h1-2,7H,3-6H2
InChIKey: JFYQLZHULWIALT-UHFFFAOYSA-N
SMILES: N1(C2=CC=C(N=C=O)C=C2F)CCOCC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.