3-플루오로-4-니트로벤질알코올

3-Fluoro-4-nitrobenzyl alcohol

HCID 2774658CAS 503315-74-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=[N+]([O-])c1ccc(CO)cc1F
InChIKey: FEMLPDPJKINFGA-UHFFFAOYSA-N
분자식: C7H6FNO3
평균 분자량: 171.13 g/mol
단동위원소 질량: 171.03317122

이름 및 식별자

우선 이름: 3-Fluoro-4-nitrobenzyl alcohol
IUPAC: (3-fluoro-4-nitrophenyl)methanol
현지명: 3-플루오로-4-니트로벤질알코올
영어명: 3-Fluoro-4-nitrobenzyl alcohol 99%
분자식: C7H6FNO3
분자량: 171.13

이름 및 동의어

3-Fluoro-4-nitrobenzyl alcoholRefChem:501799640-245-6(3-fluoro-4-nitrophenyl)methanol503315-74-0(3-Fluoro-4-nitro-phenyl)-methanolBenzenemethanol, 3-fluoro-4-nitro-MFCD030942363-Fluoro-4-nitro-benzenemethanol3-Fluoro-4-nitrobenzylalcohol99%SY239161(3-fluoro-4-nitro-phenyl)methanol

이름 더 보기

3-플루오로-4-니트로벤질알코올Structure(3-Fluoro-4-nitrophenyl)3-Fluoro-4-nitrobenzenemethanol3-Fluoro-4-nitrobenzylalcohol98%3-Fluoro-4-nitrobenzyl alcohol 99%3-Fluoro-4-nitrobenzyl alcohol 99%3-Fluoro-4-nitrobenzyl alcohol, 96% (Cu

SCHEMBL571701SCHEMBL169589963-fluoro 4-nitro benzyl alcoholDTXSID50379157FEMLPDPJKINFGA-UHFFFAOYSA-NSBB088480(3-fluoro-4-nitrophenyl)methan-1-ol(3-Fluoro-4-nitrophenyl)methanol, 2-Fluoro-4-(hydroxymethyl)nitrobenzene

데이터베이스 식별자

CAS: 503315-74-0
PubChem CID: 2774658
DTXSID: DTXSID50379157
EC Number: 640-245-6

물성

구조 계산 물성

XLogP: 1
극성 표면적: 66.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 171

물리화학적 성질

끓는 점: 328.6 · 328.6±27.0 °C(Predicted)
밀도: 1.434 · 1.434
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 고체
산도 계수 (pKa): 13.27 · 13.27±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.