Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용

HCID 715022생성일: 2026년 10월 27일

2'-플루오로비페닐-4-카르복실산

2'-플루오로비페닐-4-카르복실산 · AKOS B025018 · AKOS BAR-0161 · RARECHEM AL BE 1363 · ART-CHEM-BB B025018 · 4-(2-fluorophenyl)benzoate · 4-(2-Fluorophenyl)benzoic acid · 2'-Fluoro-4-biphenylcarboxylic acid

https://huagongshe.com/ko/chemical/715022

식별자 및 물리적 특성

CAS No.	365-12-8
분자식	C13H9FO2
평균 분자량	216.21 g/mol
단동위원소 질량	216.05865769 g/mol
SMILES	O=C(O)c1ccc(-c2ccccc2F)cc1
InChIKey	SLKZDWAZOKIEEU-UHFFFAOYSA-N
PubChem CID	715022
ChEMBL	CHEMBL332419
EC No.	672-167-3
DTXSID	DTXSID70351950
현지명	2'-플루오로비페닐-4-카르복실산

화학 및 물리적 성질

XLogP	3.5
극성 표면적	37.3
수소 결합 공여자 수	1
수소 결합 수용자 수	3
회전 가능 결합 수	2
무거운 원자 수	16
형식 전하	0
복잡도	246
녹는점	230-232℃
끓는 점	363.9±25.0 °C(Predicted)
밀도	1.261±0.06 g/cm3(Predicted)
저장 조건	Store at Room Tem.
pKa(산도 계수)	4.03±0.10(Predicted)

안전 및 규제

GHS 분류	WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+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.
Hazard Classes and Categories	Acute Tox. 4 (50%)Skin Irrit. 2 (50%)Eye Irrit. 2 (50%)STOT SE 3 (50%)
관세 코드	2916399090
위험 문구(R)	36/37/38-22
위험 표시	Xi,Xn
안전 문구(S)	26-36/37/39
위험 참고 사항	Irritant

CAS No.

365-12-8

분자식

C13H9FO2

평균 분자량

216.21 g/mol

단동위원소 질량

216.05865769 g/mol

SMILES

O=C(O)c1ccc(-c2ccccc2F)cc1

InChIKey

SLKZDWAZOKIEEU-UHFFFAOYSA-N

PubChem CID

715022

ChEMBL

CHEMBL332419

EC No.

672-167-3

DTXSID

DTXSID70351950

현지명

2'-플루오로비페닐-4-카르복실산

화학 및 물리적 성질

XLogP

3.5

극성 표면적

37.3

수소 결합 공여자 수

수소 결합 수용자 수

회전 가능 결합 수

무거운 원자 수

형식 전하

복잡도

246

녹는점

230-232℃

끓는 점

363.9±25.0 °C(Predicted)

밀도

1.261±0.06 g/cm3(Predicted)

저장 조건

Store at Room Tem.

pKa(산도 계수)

4.03±0.10(Predicted)

안전 및 규제

GHS 분류

WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+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.

Hazard Classes and Categories

Acute Tox. 4 (50%)Skin Irrit. 2 (50%)Eye Irrit. 2 (50%)STOT SE 3 (50%)

관세 코드

2916399090

위험 문구(R)

36/37/38-22

위험 표시

Xi,Xn

안전 문구(S)

26-36/37/39

위험 참고 사항

Irritant