Fluorophenylacetic acid

HCID 102649CAS 1578-63-8

기본 정보

표준 SMILES: O=C(O)C(F)c1ccccc1
InChIKey: ATPPNMLQNZHDOG-UHFFFAOYSA-N
분자식: C8H7FO2
평균 분자량: 154.14 g/mol
단동위원소 질량: 154.04300768

이름 및 식별자

우선 이름: Fluorophenylacetic acid
IUPAC: 2-fluoro-2-phenylacetic acid
영어명: alpha-Fluorophenylacetic acid
분자식: C8H7FO2
분자량: 154.14

이름 및 동의어

1578-63-8Fluorophenylacetic acidEINECS 216-420-4RefChem:599434216-420-42-fluoro-2-phenylacetic acidalpha-Fluorophenylacetic acidFluoro(phenyl)acetic acidMFCD00004221A-Fluorophenylacetic acid2-Fluoro-2-phenylaceticacidBenzeneacetic acid, .alpha.-fluoro-

이름 더 보기

SKL207fluorophenylaceticacidα-Fluorphenylessigsαureα-Fluorophenylaceticacidà-fluorophenylacetic acidα-Fluorophenylacetic acidα-Fluorobenzeneacetic acid

Fluoro(phenyl)acetic acid #.alpha.-Fluorophenylacetic acidBenzeneacetic acid, alpha-fluoro-( )-2-Fluoro-2-phenylacetic acidAKOS005207251SY109423Benzeneacetic acid, |A-fluoro-a-Fluor

데이터베이스 식별자

CAS: 1578-63-8
PubChem CID: 102649
DTXSID: DTXSID00901720
EC Number: 216-420-4
Nikkaji: J206.818D

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 141

물리화학적 성질

녹는점: 82 · 82-85 °C
끓는 점: 203.5 °C · 203.5°C (rough estimate)
밀도: 1.185 · 1.1850 (estimate)
저장 조건: 2 · Sealed in dry,2-8°C
산도 계수 (pKa): 2.12 · 2.12±0.10(Predicted)
물리적 상태: 가루
색상: 하얀색
BRN: 2087378 · 2087378

화학적 성질

slightly yellow to light yellow-beige

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (97.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, 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 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.