2-플루오로-1,3-디메틸-5-니트로벤젠

2-Fluoro-1,3-dimethyl-5-nitrobenzene

HCID 11367232CAS 1736-85-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cc([N+](=O)[O-])cc(C)c1F
InChIKey: VJEBIHTVWPSCEM-UHFFFAOYSA-N
분자식: C8H8FNO2
평균 분자량: 169.15 g/mol
단동위원소 질량: 169.05390666

이름 및 식별자

우선 이름: 2-Fluoro-1,3-dimethyl-5-nitrobenzene
IUPAC: 2-fluoro-1,3-dimethyl-5-nitrobenzene
현지명: 2-플루오로-1,3-디메틸-5-니트로벤젠
영어명: 2-Fluoro-1,3-diMethyl-5-nitrobenzene
분자식: C8H8FNO2
분자량: 169.15

이름 및 동의어

2-Fluoro-1,3-dimethyl-5-nitrobenzene1736-85-2DTXSID20463653RefChem:260797DTXCID104144722-Fluoro-5-nitro-m-xyleneBenzene, 2-fluoro-1,3-dimethyl-5-nitro-MFCD220550062-fluoro-1,3-dimethyl-5-nitro-benzene3,5-dimethyl-4-fluoronitrobenzeneSCHEMBL76981VJEBIHTVWPSCEM-UHFFFAOYSA-N

이름 더 보기

2-플루오로-1,3-디메틸-5-니트로벤젠2.6-Dimethyl-4-nitrofluorbenzol2-fluoro-1,3-dimethylnitrobenzene1-Fluoro-2,6-dimethyl-4-nitrobenzene1,3-Dimethyl-2-fluoro-5-nitrobenzene

4-fluoro-3,5-dimethylnitrobenzeneAKOS0159988683,5-dimethyl-4-fluoro-1-nitrobenzeneCS-W005736AS-18160SY037765DB-104601O10774

데이터베이스 식별자

CAS: 1736-85-2
PubChem CID: 11367232
DTXSID: DTXSID20463653
EC Number: 982-760-1

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 45.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 168

물리화학적 성질

녹는점: 42 · 42-43 °C
끓는 점: 111 · 111-112 °C(Press: 14 Torr)
밀도: 1.225 · 1.225±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 고체
색상: 갈색

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

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