2-Fluoro-6-hydroxybenzonitrile

HCID 2783216

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 140675-43-0
표준 SMILES: N#Cc1c(O)cccc1F
InChIKey: YEBHNFDMNFHZFF-UHFFFAOYSA-N
분자식: C7H4FNO
평균 분자량: 137.11 g/mol
단동위원소 질량: 137.02769197

이름 및 식별자

우선 이름: 2-Fluoro-6-hydroxybenzonitrile
IUPAC: 2-fluoro-6-hydroxybenzonitrile
영어명: 2-Fluoro-6-hydroxybenzonitrile
분자식: C7H4FNO
분자량: 137.11

이름 및 동의어

2-fluoro-6-hydroxybenzonitrile140675-43-02-Cyano-3-FluorophenolDTXSID00382515RefChem:472534DTXCID80333540642-487-86-fluorosalicylonitrileBenzonitrile, 2-fluoro-6-hydroxy-2-Fluoro-6-hydroxy-benzonitrileMFCD034285926-Fluoro-2-hydroxybenzonitrile

이름 더 보기

2-fuoro-6-hydroxybenzonitrle2-Fluoro-6-hydroxybenzonitrile >2-Fluoro-6-hydroxybenzonitrile 99%2-FLUORO-6-HYDROXYBENZONITRILE,98+%Benzonitrile, 2-fluoro-6-hydroxy- (9CI)

CL8166F0985EN300-433172-FLUORO-6-HYDROXYBENZONITRLEFT-0643319SCHEMBL309782-hydroxy-6-fluorobenzonitrileSCHEMBL3154084

데이터베이스 식별자

CAS: 140675-43-0
PubChem CID: 2783216
DTXSID: DTXSID00382515
EC Number: 642-487-8
Nikkaji: J1.092.459F

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 44 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 162

물리화학적 성질

녹는점: 156 · 156-158°C
끓는 점: 257.5 · 257.5±25.0 °C(Predicted)
밀도: 1.34 · 1.34±0.1 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 6.17 · 6.17±0.10(Predicted)
색상: 흰색에서 밝은 노란색
BRN: 8403914 · 8403914
InChI: InChI=1S/C7H4FNO/c8-6-2-1-3-7(10)5(6)4-9/h1-3,10H
InChIKey: YEBHNFDMNFHZFF-UHFFFAOYSA-N
SMILES: C(#N)C1=C(O)C=CC=C1F

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301+H311+H331 (11.1%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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.