2-(3-Chloro-4-fluorophenyl)acetic acid

HCID 2773721CAS 705-79-3

기본 정보

표준 SMILES: O=C(O)Cc1ccc(F)c(Cl)c1
InChIKey: WGODGMOMOMNTRN-UHFFFAOYSA-N
분자식: C8H6ClFO2
평균 분자량: 188.58 g/mol
단동위원소 질량: 188.0040353

이름 및 식별자

우선 이름: 2-(3-Chloro-4-fluorophenyl)acetic acid
IUPAC: 2-(3-chloro-4-fluorophenyl)acetic acid
영어명: 3-CHLORO-4-FLUOROPHENYLACETIC ACID
분자식: C8H6ClFO2
분자량: 188.58

이름 및 동의어

2-(3-chloro-4-fluorophenyl)acetic acidRefChem:455332642-513-83-Chloro-4-fluorophenylacetic acid705-79-3MFCD01631555(3-chloro-4-fluorophenyl)acetic acidSCHEMBL869116DTXSID90378669AKOS005257944CS-W016774AC-9781

이름 더 보기

3-Chloro-4-fluorobenzeneacetic acidRARECHEM AL BO 0953Acid 3-chloro-4-fluoro3-Chloro-4-fluorphenylaceticacidBenzeneacetic acid, 3-chloro-4-fluoro-3-Chloro-4-fluorophenylacetic acid 99%3-CHLORO-4-FLUOROPHENYLACETIC ACID ISO 9001：2015 REACH(3-Chloro-4-fluorophenyl)acetic acid, 2-(3-Chloro-4-fluorophenyl)ethanoic acid

DS-0694PB47622PS-8435SY0192123-Chloro-4-fluorobenzeneacetic Acid; 2-(3-Chloro-4-fluorophenyl)acetic Acid;2-(3-chloro-4-fluoro-phenyl)acetic AcidSBB064032DB-030912

데이터베이스 식별자

CAS: 705-79-3
PubChem CID: 2773721
DTXSID: DTXSID90378669
EC Number: 642-513-8

물성

구조 계산 물성

XLogP: 2
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 174

물리화학적 성질

녹는점: 55 · 55-58°C
끓는 점: 302 · 302.0±27.0 °C(Predicted)
밀도: 1.417 · 1.417±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름, DMSO(약간), 메탄올(약간)에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 4.09 · 4.09±0.10(Predicted)
색상: 회백색

화학적 성질

Class white 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 (100%): 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 8 reports by companies from 4 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. 2A (100%)；STOT SE 3 (100%)

안전 데이터

HS 번호: 2918290090
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도3-Chloro-4-fluorophenylacetic Acid is a useful intermediate for organic synthesis.

상·하류 제품 정보

상류 원료

공급사50 곳

南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]

常州帝通化工有限公司+86-0519-88298848 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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