CAS 459-03-0 (4-Fluorophenyl)acetone (HCID 521187)

이름 및 식별자

우선 이름: (4-Fluorophenyl)acetone
IUPAC: 1-(4-fluorophenyl)propan-2-one
영어명: (4-Fluorophenyl)acetone
분자식: C9H9FO
분자량: 152.17

이름 및 동의어

459-03-0(4-Fluorophenyl)acetone2-Propanone, 1-(4-fluorophenyl)-EINECS 207-284-7DTXSID701966412-Propanone, 1-[4-fluorophenyl]-4FluorophenylacetoneRefChem:69479DTXCID10119132207-284-7ZUEKIIWSVFBTCM-UHFFFAOYSA-N4-Fluorophenylacetone

이름 더 보기

cas 459-03-02-Propanone, 1-(44'-FLUOROPHENYLACETONE4-Fluorophenylacetone98%4-Fluorophenylacetone 98%4-Fluorophenylacetone,99%4-Fluorophenylacetone pmk

1-(4-fluorophenyl)propan-2-one1-(4-Fluorophenyl)acetoneMFCD000003621-(4-fluorophenyl)-2-propanone(p-fluorophenyl)acetone1-Acetonyl-4-fluorobenzene(4-fluorophenyl) acetoneSCHEMBL48545

데이터베이스 식별자

CAS: 459-03-0
PubChem CID: 521187
DTXSID: DTXSID70196641
EC Number: 207-284-7
Nikkaji: J196.173J

물성

구조 계산 물성

XLogP: 1.9
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: 136

실험 및 물리화학적 성질

Physical DescriptionColorless or yellow liquid; [Alfa Aesar MSDS]

물리화학적 성질

끓는 점: 106 · 106-107 °C/18 mmHg (lit.)
밀도: 1.139 g/mL · 1.139 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.496(lit.)
인화점: 197 °F · 197 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 50 mg/ml · Methyl Acetate: 50 mg/ml
물리적 상태: 투명한 액체
색상: Light yellow to Yellow to Orange
Specific Gravity: 1.139 · 1.139
수용성: 불용성
BRN: 1936697 · 1936697
InChI: InChI=1S/C9H9FO/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3
InChIKey: ZUEKIIWSVFBTCM-UHFFFAOYSA-N
SMILES: C(C1=CC=C(F)C=C1)C(=O)C
NIST: (4-Fluorophenyl)acetone(459-03-0)

화학적 성질

clear yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]；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, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Chloroacetone.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Skin Sens. 1B (50%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
HS 번호: 29147090
risk_code: 36/37/38
hazard_code: F,Xi
safety_code: 24/25
위험 등급: IRRITANT, FLAMMABLE
위험 참고 사항: Flammable
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

개요This intermediate, also known as (4-Fluorophenyl)acetone, presents as a dark yellow liquid. It is known to be insoluble in water. For best results, store in a tightly closed container in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. 4-Fluorophenylacetone is incompatible with strong oxidizing agents. This chemical is a combustible liquid.

용도4-Fluorophenylacetone is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields. It is a haloarylacetone derivative used in a study of reversed enantiopreference of an ω-transaminase by a single-point mutation.