CAS 100-31-2 4,4'-Stilbenedicarboxylic acid (HCID 97794)

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 100-31-2
표준 SMILES: O=C(O)c1ccc(C=Cc2ccc(C(=O)O)cc2)cc1
InChIKey: SBBQDUFLZGOASY-UHFFFAOYSA-N
분자식: C16H12O4
평균 분자량: 268.26 g/mol
단동위원소 질량: 268.07355886

개요

structure in first source

이름 및 식별자

우선 이름: 4,4'-Stilbenedicarboxylic acid
IUPAC: 4-[2-(4-carboxyphenyl)ethenyl]benzoic acid
영어명: 4,4'-Stilbenedicarboxylic acid
분자식: C16H12O4
분자량: 268.26

이름 및 동의어

4,4'-Stilbenedicarboxylic acidRefChem:96305100-31-24,4'-(Ethene-1,2-diyl)dibenzoic acidMFCD00013994133005-88-64,4-Stilbenedicarboxylic Acid4-[(1Z)-2-(4-carboxyphenyl)ethenyl]benzoic acidSCHEMBL691674,4\'-Stilbenedicarboxylic acidSBBQDUFLZGOASY-UHFFFAOYSA-NDTXSID701018996

이름 더 보기

(E)-4,4'-(ethene-1,2-diyl)dibenzoic acidH2SDCStilbene-4,4'-dicarboxylic acidH2BPEA4,4'-StiLbenedicarboxyLEinecs 202-838-4TIMTEC-BB SBB0079444,4′-DicarboxystilbeneStilbenedicarboxylic aci

SY0483734-[2-(4-carboxyphenyl)vinyl]benzoic acidS05574,4 inverted exclamation mark -Stilbenedicarboxylic Acid4,4 inverted exclamation marka-(1,2-Ethenediyl)bis[benzoic acid]4,4'-(1,2-Ethenediyl)bisbenzoicacid,4,4'-Dicarboxystilbene,Biphenylethene-4,4? inverted exclamation marke-dicarboxylicacid,H2BPEA,H2SDC

데이터베이스 식별자

CAS: 100-31-2、133005-88-6
PubChem CID

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 74.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 20
형식 전하: 0
복잡도: 336

물리화학적 성질

녹는점: 300 °C · >300°C
끓는 점: 518.5 · 518.5±39.0 °C(Predicted)
밀도: 1.356 · 1.356±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 3.96 · 3.96±0.10(Predicted)
색상: White to Orange to Green
InChI: InChI=1S/C16H12O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H,(H,17,18)(H,19,20)
InChIKey: SBBQDUFLZGOASY-OWOJBTEDSA-N
SMILES: C(C1=CC=C(C=C1)C(O)=O)=CC1=CC=C(C=C1)C(O)=O

화학적 성질

Light brown crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302 (86.7%): Harmful if swallowed [Warning Acute toxicity, oral]

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 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

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

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (86.7%)

안전 데이터

wgk: 3
HS 번호: 2917.39.7000
risk_code: 36/37/38-52-38-37-36-22
hazard_code: Xn
safety_code: 26-37
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도SDA can be used in the hydrothermal synthesis of three-dimensional (3D) metal-organic frameworks, which have potential usage in sensing, drug delivery, luminescence, and gas adsorption. It may also be used in energy storage applications such as supercapacitors and batteries.

일반 설명This product has been enhanced for energy efficiency.

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

河北凡博医药科技有限公司15588346797

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

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