2-(4'-Chlorobenzoyl)benzoic acid (HCID 66564)

이름 및 식별자

우선 이름: 2-(4'-Chlorobenzoyl)benzoic acid
IUPAC: 2-(4-chlorobenzoyl)benzoic acid
현지명: 2-(4-클로로벤조일)벤조산
영어명: 2-(4-Chlorobenzoyl)benzoic acid
분자식: C14H9ClO3
분자량: 260.67

이름 및 동의어

2-(4-Chlorobenzoyl)benzoic acid85-56-3Benzoic acid, 2-(4-chlorobenzoyl)-2-(4'-chlorobenzoyl)benzoic acido-(p-Chlorobenzoyl)benzoic acid2-(p-Chlorobenzoyl)benzoic acido-(4-Chlorobenzoyl)benzoic acidBenzoic acid, o-(p-chlorobenzoyl)-3U7W4YOY3RNSC 7825NSC-7825EINECS 201-615-9

이름 더 보기

2-(4-클로로벤조일)벤조산CBBA2-(4-ChloroTIMTEC-BB SBB003088p-Chlorobenzoylbenzoic acid4-Chlro-2-benzoylbenzoic acid2-(4-Chlorobenzoyl)benzoicaci2-Carboxy-4-chlorobenzophenone

AI3-15224DTXSID10589274-CHLOROBENZOPHENONE-2'-CARBOXYLIC ACID60839-51-2RefChem:455944DTXCID7048453Benzoic acid, o-(p-chlorobenzoyl)-(8CI)201-615-9

데이터베이스 식별자

CAS: 60839-51-2、85-56-3
PubChem CID: 66564
DTXSID: DTXSID1058927
ChEMBL: CHEMBL81936
UNII: 3U7W4YOY3R
EC Number: 201-615-9
Nikkaji: J39.686I

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 54.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 18
형식 전하: 0
복잡도: 321

물리화학적 성질

녹는점: 149 · 149-150 °C (lit.)
끓는 점: 470.8 · 470.8±30.0 °C(Predicted)
밀도: 1.357 · 1.357±0.06 g/cm3(Predicted)
증기압: 0 Pa · 0Pa at 20℃
저장 조건: Sealed in dry,Room Temperature
용해도: 0.28 g/L · 0.28g/L
물리적 상태: 고체
산도 계수 (pKa): 3.26 · 3.26±0.36(Predicted)
색상: 흰색에서 황백색까지
수소이온지수(pH): 3 · 3 (1g/l, H2O, 20℃)
수용성: 136 mg/L · 136mg/L at 20℃
BRN: 649894 · 649894
Henry's Law Constant: 3.4 · 3.4×105 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI: 1S/C14H9ClO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18)
InChIKey: YWECCEXWKFHHQJ-UHFFFAOYSA-N
SMILES: OC(=O)c1ccccc1C(=O)c2ccc(Cl)cc2
LogP: 1 at · 1 at 25℃
EPA: 2 · Benzoic acid, 2-(4-chlorobenzoyl)- (85-56-3)

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (60.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (98.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 114 reports by companies from 10 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

Regulatory InformationStatus: Active Update: 08-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22870

Hazard Classes and CategoriesAcute Tox. 4 (60.5%)；Skin Irrit. 2 (98.2%)；Eye Irrit. 2A (98.2%)；STOT SE 3 (97.4%)

규제 정보

Regulatory InformationStatus: Active Update: 08-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22870

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29183000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoic acid, 2-(4-chlorobenzoyl)-: ACTIVE

응용 분야

용도2-(4-Chlorobenzoyl)benzoic acid was used in the preparation of bisphthalazinone monomers, required for the synthesis of phthalazinone containing poly(arylene ether)s, poly(arylene thioether)s and poly(arylene sulfone)s.

일반 설명2-(4-Chlorobenzoyl)benzoic acid forms complexes with europium and terbium having photoluminescence properties.