Dimethyl 4,4'-biphenyldicarboxylate

HCID 13099CAS 792-74-5
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기본 정보

표준 SMILES
COC(=O)c1ccc(-c2ccc(C(=O)OC)cc2)cc1
InChIKey
BKRIRZXWWALTPU-UHFFFAOYSA-N
분자식
C16H14O4
평균 분자량
270.28 g/mol
단동위원소 질량
270.08920893

개요

Nissel has been investigated for the treatment of Chronic Liver Disease.

이름 및 식별자

우선 이름
Dimethyl 4,4'-biphenyldicarboxylate
IUPAC
methyl 4-(4-methoxycarbonylphenyl)benzoate
영어명
Biphenyl dimethyl dicarboxylate
분자식
C16H14O4
분자량
270.28

이름 및 동의어

792-74-5dimethyl [1,1'-biphenyl]-4,4'-dicarboxylateBiphenyl dimethyl dicarboxylateDIMETHYL 4,4'-BIPHENYLDICARBOXYLATENissel4,4'-Biphenyldicarboxylic acid, dimethyl ester4,4'-Bis(methoxycarbonyl)biphenylK61BXA0U9CHSDB 5754Dimethyl (1,1'-biphenyl)-4,4'-dicarboxylateEINECS 212-341-44,4'-dimethyl [1,1'-biphenyl]-4,4'-dicarboxylate
이름 더 보기
B.D.D.v025-46DPDCA-MERARECHEM AL BF 1412TIMTEC-BB SBB005981Biphenyl 4,4-dimethyDIMETHYL 4,4'-DIBENZOATE4,4-Dicarboxymethylbiphenyl
(1,1'-Biphenyl)-4,4'-dicarboxylic acid, 4,4'-dimethyl esterDIMETHYL 4,4'-BIPHENYLDICARBOXYLATE [WHO-DD]4,4'-Dimethyl (1,1'-biphenyl)-4,4'-dicarboxylate[1,1'-Biphenyl]-4,4'-dicarboxylic acid, 4,4'-dimethyl esterRefChem:5881864,4'Biphenyldicarboxylic acid, dimethyl ester(1,1'Biphenyl)4,4'dicarboxylic acid, dimethyl esterDimethyl biphenyl-4,4'-dicarboxylate

데이터베이스 식별자

CAS
792-74-5
PubChem CID
13099
DTXSID
DTXSID2061143
ChEMBL
CHEMBL4297409
UNII
K61BXA0U9C
EC Number
212-341-4
Nikkaji
J56.222J

물성

구조 계산 물성

XLogP
3.9
극성 표면적
52.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
5
무거운 원자 수
20

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Other Aromatic Compounds
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesChemical diffusion
Physical DescriptionFine faintly red crystals; [MSDSonline]

물리화학적 성질

녹는점
213 · 213-215 °C (lit.)
끓는 점
373.4 °C · 373.4°C (rough estimate)
밀도
1.2117 · 1.2117 (rough estimate)
굴절률
1.5447 · 1.5447 (estimate)
저장 조건
Sealed in dry,Room Temperature
용해도
벤젠(약간 용해됨, 가열, 초음파 처리), 클로로포름(약간 용해됨, 가열, 초음파 처리)

화학적 성질

White or cream crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazards SummaryMay cause irritation; [MSDSonline] See Biphenyl.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

독성 정보

Non-Human Toxicity ExcerptsDimethyl biphenyldicarboxylate provides protective action against CCl4 induced liver lesions in mice and decreases liver glutamate pyruvate transaminase levels.

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29173990
safety_code
22-24/25
스토리지 클래스
11 - Combustible Solids
유해 물질 데이터
792-74-5(Hazardous Substances Data)

화학 및 산업

용도 및 제조

Uses · 2건

Used to make insect growth regulators; [HSDB]

USED IN PREPN OF INSECT GROWTH REGULATORS

General Manufacturing Information[1,1'-Biphenyl]-4,4'-dicarboxylic acid, 4,4'-dimethyl ester: INACTIVE
응용 분야 · 2건

용도Dimethyl biphenyl-4,4'-dicarboxylate is used as a hepatoprotectant in the treatment of chronic hepatitis. At 250 μg/ml, it has been shown to stimulate JAK/STAT signaling and to induce the expression of interferon-α stimulated genes in a HepG2 cell line. It has been used to study hepatic fibrosis and chronic hepatocellular damage. It appears to normalize alanine aminotransferase (ALT) in cases where levels of ALT are elevated. It may be employed as starting reagent for the synthesis of dimethyl 2-fluoro-and 2,2-difluorobiphenyl-4,4-dicarboxylates.

일반 설명Dimethyl biphenyl-4,4′-dicarboxylate is a planar biphenyldicarboxylic acid ester. Crystal data of dimethyl biphenyl-4, 4′-dicarboxylate has been reported.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
上海博尼麦德新材料科技有限公司13764849732 13764849732

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