프로피올산,(p-클로로페닐)-(8CI)

2-(4-Chlorophenyl)-2-propynoic acid

HCID 18607

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3240-10-6
표준 SMILES: O=C(O)C#Cc1ccc(Cl)cc1
InChIKey: HXUUKDJAFBRYMD-UHFFFAOYSA-N
분자식: C9H5ClO2
평균 분자량: 180.59 g/mol
단동위원소 질량: 179.9978071

이름 및 식별자

우선 이름: 2-(4-Chlorophenyl)-2-propynoic acid
IUPAC: 3-(4-chlorophenyl)prop-2-ynoic acid
현지명: 프로피올산,(p-클로로페닐)-(8CI)
영어명: Propiolic acid, (p-chlorophenyl)- (8CI)
분자식: C9H5ClO2
분자량: 180.59

이름 및 동의어

3-(4-CHLOROPHENYL)PROPIOLIC ACID3240-10-64-Chlorophenylpropiolic acid3-(4-Chlorophenyl)-2-propynoic acidPropiolic acid, (p-chlorophenyl)-4GM85LD7I62-(4-CHLOROPHENYL)-2-PROPYNOIC ACIDNSC-408176UNII-4GM85LD7I62-Propynoic acid, 2-(4-chlorophenyl)-HSDB 2675DTXSID20186113

이름 더 보기

프로피올산,(p-클로로페닐)-(8CI)3-(4-chlorophenyl)prop-2-ynoic acid(4-chlorophenyl)propiolic acid(4-Chlorophenyl)propargylic AcidPropiolic acid, (p-chlorophenyl)- (8CI)

2-PROPYNOIC ACID, 3-(4-CHLOROPHENYL)-4-CHLOROPHENYLPROPYNOIC ACIDPropynoic acid, (4-chlorophenyl)-NSC 408176(4-CHLOROPHENYL)-2-PROPYNOIC ACIDRefChem:843784Chlorophenylpropiolic acidPropiolic acid, (pchlorophenyl)

데이터베이스 식별자

CAS: 3240-10-6
PubChem CID: 18607
DTXSID: DTXSID20186113
ChEMBL: CHEMBL3274820
UNII: 4GM85LD7I6
EC Number: 841-890-8
Nikkaji: J1.237.317A

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 227

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Organic Acids

SpringerMaterials PropertiesDensity

Color/FormCRYSTALS FROM ACETIC ACID; PLATES FROM BENZENE

SolubilityINSOL IN WATER; SOL IN HOT BENZENE, ACETIC ACID

Melting Point192-193 °C

Physical DescriptionSolid; [HSDB]

물리화학적 성질

녹는점: 192 · 192-193 °C
끓는 점: 330.2 · 330.2±34.0 °C(Predicted)
밀도: 1.4 · 1.40±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: powder to crystal
산도 계수 (pKa): 2.46 · 2.46±0.10(Predicted)
색상: White to Light yellow to Light orange

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

HS 번호: 2916399090
유해 물질 데이터: 3240-10-6(Hazardous Substances Data)

화학 및 산업

용도 및 제조

UsesTested for plant growth inhibition; Not commercially produced in the US; [HSDB]

U.S. Exports · 2건

(1977) No Data

(1979) No Data

U.S. Imports · 2건

(1977) No Data

(1979) No Data

U.S. Production · 2건

(1977) NOT PRODUCED COMMERCIALLY IN US

(1979) NOT PRODUCED COMMERCIALLY IN US

General Manufacturing Information · 2건

TESTED FOR PLANT GROWTH INHIBITION.

TESTED FOR ANTIINFLAMMATORY ACTIVITY.

상·하류 제품 정보

상류 원료

공급사46 곳

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

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

Shanghai Huici Pharmaceutical Technology Co., LTD+8615601812108 · [email protected]

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]

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