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HCID 3535430생성일: 2026년 10월 27일

2-(2-Chloro-5-fluorophenyl)acetic acid

2-(2-chloro-5-fluorophenyl)acetic acid · 2-Chloro-5-fluorophenylacetic acid · Benzeneacetic acid, 2-chloro-5-fluoro- · 2-CHLORO-5-FLUOROPHENYLACETIC ACID ISO 9001：2015 REACH

https://huagongshe.com/ko/chemical/3535430

2-(2-Chloro-5-fluorophenyl)acetic acid 분자 구조식

식별자 및 물리적 특성

CAS No.	177985-33-0
분자식	C8H6ClFO2
평균 분자량	188.58 g/mol
단동위원소 질량	188.0040353 g/mol
SMILES	O=C(O)Cc1cc(F)ccc1Cl
InChIKey	VFUKAVLGRHSSPG-UHFFFAOYSA-N
PubChem CID	3535430
EC No.	681-591-8
DTXSID	DTXSID60393420

화학 및 물리적 성질

XLogP	2.1
극성 표면적	37.3
수소 결합 공여자 수	1
수소 결합 수용자 수	3
회전 가능 결합 수	2
무거운 원자 수	12
형식 전하	0
복잡도	174
녹는점	114-115°C
끓는 점	289.3℃
밀도	1.417
인화점	128.8℃
저장 조건	Sealed in dry,Room Temperature
pKa(산도 계수)	3.85±0.10(Predicted)
InChI	InChI=1S/C8H6ClFO2/c9-7-2-1-6(10)3-5(7)4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey	VFUKAVLGRHSSPG-UHFFFAOYSA-N
SMILES	C1(CC(O)=O)=CC(F)=CC=C1Cl

안전 및 규제

GHS 분류	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory 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 6 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.
Hazard Classes and Categories	Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
관세 코드	2916399090
위험 표시	C,Xi
위험 등급	IRRITANT

CAS No.

177985-33-0

분자식

C8H6ClFO2

평균 분자량

188.58 g/mol

단동위원소 질량

188.0040353 g/mol

SMILES

O=C(O)Cc1cc(F)ccc1Cl

InChIKey

VFUKAVLGRHSSPG-UHFFFAOYSA-N

PubChem CID

3535430

EC No.

681-591-8

DTXSID

DTXSID60393420

화학 및 물리적 성질

XLogP

2.1

극성 표면적

37.3

수소 결합 공여자 수

수소 결합 수용자 수

회전 가능 결합 수

무거운 원자 수

형식 전하

복잡도

174

녹는점

114-115°C

끓는 점

289.3℃

밀도

1.417

인화점

128.8℃

저장 조건

Sealed in dry,Room Temperature

pKa(산도 계수)

3.85±0.10(Predicted)

InChI

InChI=1S/C8H6ClFO2/c9-7-2-1-6(10)3-5(7)4-8(11)12/h1-3H,4H2,(H,11,12)

InChIKey

VFUKAVLGRHSSPG-UHFFFAOYSA-N

SMILES

C1(CC(O)=O)=CC(F)=CC=C1Cl

안전 및 규제

GHS 분류

WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory 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 6 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.

Hazard Classes and Categories

Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)

관세 코드

2916399090

위험 표시

C,Xi

위험 등급

IRRITANT