1,1-Cyclopropanedicarboxylic acid (HCID 69017)

이름 및 식별자

우선 이름: 1,1-Cyclopropanedicarboxylic acid
IUPAC: cyclopropane-1,1-dicarboxylic acid
영어명: 1,1-Cyclopropanedicarboxylic acid
분자식: C5H6O4
분자량: 130.1

이름 및 동의어

598-10-71,1-Cyclopropanedicarboxylic acid1,1-CyclopropanedicarboxylateT2P6A98UKVDTXSID20208526CPrDCARefChem:906580DTXCID70131017209-917-2Cyclopropane-1,1-dicarboxylic acidMFCD00013727NSC626865

이름 더 보기

RARECHEM AL BO 0836Cabozantinib Impurity 721,1-DicarboxycyclopropaneCyclopropan-1,1-dicarbonsureCYCLOPROPANE-1,1-DICARBOXYLICCycloprpopane-1,1-Dicarboxylic1-Cyclopropanedicarboxylic acid

Vinaconic acidcyclopropane-1,1-dicarboxylicacidCyclopropanedicarboxylic acid1-Carboxycyclopropanecarboxylic Acid; Ethylenemalonic Acid; NSC 626865;Cyclopropane, 3Vinyl-malonic acid9TYEthylenemalonic acid

데이터베이스 식별자

CAS: 598-10-7
PubChem CID: 69017
DTXSID: DTXSID20208526
ChEMBL: CHEMBL1993862
UNII: T2P6A98UKV
EC Number: 209-917-2
Nikkaji: J6.789J

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 74.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 152

실험 및 물리화학적 성질

SpringerMaterials PropertiesCrystal structure

물리화학적 성질

녹는점: 134 · 134-136 °C(lit.)
끓는 점: 200.75 °C · 200.75°C (rough estimate)
밀도: 1.3985 · 1.3985 (rough estimate)
굴절률: 1.58 · 1.5800 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 1 g/10mL, · 메탄올: 용해성1g/10mL, 투명, 무색
산도 계수 (pKa): 1.82 · 1.82(at 25℃)
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
수용성: 녹는
BRN: 1864823 · 1864823
InChI: InChI=1S/C5H6O4/c6-3(7)5(1-2-5)4(8)9/h1-2H2,(H,6,7)(H,8,9)
InChIKey: FDKLLWKMYAMLIF-UHFFFAOYSA-N
SMILES: C1(C(O)=O)(C(O)=O)CC1

화학적 성질

white to almost white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (98.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 6 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1A (98.1%)

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 2
HS 번호: 29172090
risk_code: 36/37/38-34
hazard_code: Xi,C
safety_code: 26-36-45-36/37/39
포장분류: III
위험 등급: 8
위험 참고 사항: Irritant
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 2건

용도1,1-Cyclopropanedicarboxylic acid is used to prepare spiro-cyclopropyl metallocycles.1

일반 설명Cyclopropane-1,1-dicarboxylic acid is a dicarboxylic acid. Cyclopropane-1,1-dicarboxylic acid, an inhibitor of 1-aminocyclopropane-1-carboxylic acid oxidase, was quantitated in Lycopersicum esculentum by HPLC-electrospray tandem mass spectrometry. Crystal and molecular structure of cyclopropane-1,1-dicarboxylic acid has been reported.