(Pentafluorophenyl)acetic acid

HCID 69553
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기본 정보

CAS
653-21-4
표준 SMILES
O=C(O)Cc1c(F)c(F)c(F)c(F)c1F
InChIKey
LGCODSNZJOVMHV-UHFFFAOYSA-N
분자식
C8H3F5O2
평균 분자량
226.1 g/mol
단동위원소 질량
226.00532014

이름 및 식별자

우선 이름
(Pentafluorophenyl)acetic acid
IUPAC
2-(2,3,4,5,6-pentafluorophenyl)acetic acid
영어명
2,3,4,5,6-Pentafluorophenylacetic acid
분자식
C8H3F5O2
분자량
226.1

이름 및 동의어

653-21-4(Pentafluorophenyl)acetic acidBenzeneacetic acid, 2,3,4,5,6-pentafluoro-F2HFR5VJK7EINECS 211-497-0DTXSID502156422,3,4,5,6-PENTAFLUOROBENZENEACETIC ACIDRefChem:406809DTXCID80138133211-497-0Pentafluorophenylacetic acid2,3,4,5,6-Pentafluorophenylacetic acid
이름 더 보기
RARECHEM AL BO 0298pentaflurobenzalcoholBenzopyrene Impurity 10Pentafluorophenylaceticacid98%PentafluorophenylaceticAcid>Pentafluorophenylacetic acid 98%2,3,4,5,6-PENTAFLUORPHENYLACETIC ACID
2-(Perfluorophenyl)acetic acid2-(2,3,4,5,6-pentafluorophenyl)acetic acidMFCD00004316P1004EN300-23512O105352,3,4,5,6-Pentafluorophenylacetic acid, 99%Z152448270

데이터베이스 식별자

CAS
653-21-4
PubChem CID
69553
DTXSID
DTXSID50215642
UNII
F2HFR5VJK7
EC Number
211-497-0
Nikkaji
J205.937A

물성

구조 계산 물성

XLogP
1.9
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
2
무거운 원자 수
15

물리화학적 성질

녹는점
108 · 108-110 °C(lit.)
끓는 점
235.3 · 235.3±35.0 °C(Predicted)
밀도
1.5096 · 1.5096 (estimate)
저장 조건
Store at room temperature
용해도
95 % · 95% 에탄올: 용해성50mg/mL, 투명, 무색 ~ 매우 희미한 노란색
산도 계수 (pKa)
3.3 · 3.30±0.10(Predicted)

화학적 성질

white crystalline powder

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 (97.9%): 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)

Aggregated GHS information provided per 48 reports by companies from 7 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 Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

안전 데이터

wgk
3
HS 번호
29163990
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
위험 등급
IRRITANT

화학 및 산업

응용 분야

용도2,3,4,5,6-Pentafluorophenylacetic acid has been used in the preparation of:2,3,4,5,6-pentafluorophenylacetyl chloride4-bromo-phenacyl-2,3,4,5,6-pentafluorophenyl acetate

일반 설명FT-IR and FT-Raman spectra of 2,3,4,5,6-pentafluorophenylacetic acid has been studied.

상·하류 제품 정보

공급사61 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
常州新氟化学有限公司13275212658 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]

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