4-Fluorophenylacetyl chloride

HCID 3744988CAS 459-04-1

기본 정보

표준 SMILES: O=C(Cl)Cc1ccc(F)cc1
InChIKey: SIOJFYRPBYGHOO-UHFFFAOYSA-N
분자식: C8H6ClFO
평균 분자량: 172.58 g/mol
단동위원소 질량: 172.0091207

이름 및 식별자

우선 이름: 4-Fluorophenylacetyl chloride
IUPAC: 2-(4-fluorophenyl)acetyl chloride
영어명: 4-Fluorophenylacetyl chloride
분자식: C8H6ClFO
분자량: 172.58

이름 및 동의어

4-Fluorophenylacetyl chloride459-04-12-(4-fluorophenyl)acetyl chlorideDTXSID30395835RefChem:523459DTXCID20346694628-331-14-fluorophenylacetylchloride4-fluorophenacetyl chloride4-fluorobenzeneacetyl chlorideMFCD00674181(4-Fluorophenyl)acetyl chloride

이름 더 보기

SKL1297Of fluorobenzene chloride4-fluorophenylacethyl chloride4-fluorobenzencacetyl chloride4-FLUOROPHENYLACETYL CHLORIDE 99%

p-fluorophenylacetyl chloride4-fluoro phenylacetyl chlorideBenzeneacetyl chloride, 4-fluoro-4fluorophenylacetyl chlorideSCHEMBL108765(4-fluorophenyl)acetylchloride4-fluorophenyl acetyl chloride4-fluorophenyl-acetyl chloride

데이터베이스 식별자

CAS: 459-04-1
PubChem CID: 3744988
DTXSID: DTXSID30395835
EC Number: 628-331-1
Nikkaji: J1.785.550F

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 141

물리화학적 성질

녹는점: 47 · 47-48
끓는 점: 60 °C/8 · 60 °C/8 mmHg (lit.)
밀도: 1.259 g/mL · 1.259 g/mL at 25 °C (lit.)
굴절률: 1.511 · 1.511-1.513
인화점: 107 °C · 107 °C
저장 조건: 2 · 2-8°C
용해도: 디클로로메탄과 혼합 가능.
물리적 상태: 액체
Specific Gravity: 1.259 · 1.259
색상: 맑은 노란색
BRN: 972148 · 972148
InChI: 1S/C8H6ClFO/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4H,5H2
InChIKey: SIOJFYRPBYGHOO-UHFFFAOYSA-N
SMILES: Fc1ccc(CC(Cl)=O)cc1

화학적 성질

clear yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (86.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)；Eye Dam. 1 (86.7%)

안전 데이터

wgk: 3
ridadr: 3265
HS 번호: 29163990
risk_code: 34-29-14
hazard_code: C,Xi
safety_code: 45-36/37/39-26-27
포장분류: II
위험 등급: 8
위험 참고 사항: Corrosive
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도4-Fluorophenylacetyl chloride is used as an acylating agent in organic synthesis. It is used to prepare monoacylated pyrazolidine by reacting with pyrazolidine. It is also used in the preparation of N-acyl isothiouronium chloride.