Methyl 1-hydroxy-1-cyclopropane carboxylate

HCID 2733178

노트 반응

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기본 정보

CAS: 33689-29-1
표준 SMILES: COC(=O)C1(O)CC1
InChIKey: KPJWVJURYXOHOO-UHFFFAOYSA-N
분자식: C5H8O3
평균 분자량: 116.11 g/mol
단동위원소 질량: 116.04734412

이름 및 식별자

우선 이름: Methyl 1-hydroxy-1-cyclopropane carboxylate
IUPAC: methyl 1-hydroxycyclopropane-1-carboxylate
영어명: Methyl 1-hydroxy-1-cyclopropane carboxylate, 90
분자식: C5H8O3
분자량: 116.12

이름 및 동의어

METHYL 1-HYDROXY-1-CYCLOPROPANE CARBOXYLATERefChem:812722827-536-533689-29-1methyl 1-hydroxycyclopropanecarboxylatemethyl 1-hydroxycyclopropane-1-carboxylateMETHYL 1-HYDROXY-1-CYCLOPROPANECARBOXYLATEMFCD020938841-Hydroxycyclopropanecarboxylic Acid Methyl EsterMETHYL 1-HYDROXY-1-CYCLOPROPANE CARBOXYLATE, 90Methyl 1-Hydroxycyclopropane-1-carboxylate; Methyl 1-Hydroxycyclopropanecarboxylate;1-Hydroxy-c

이름 더 보기

METHYL 1-HYDROXY-1-CYCLOPROPANEMethyl 1-hydroxy-cyclopropan-carboxylateMETHYL 1-HYDROXY-1-CYCLOPROPANE CARBOXYLMethyl 1-hydroxy-1-cyclopropane carboxylate, 90% 5GR1-hydroxy-Cyclopropanecarboxylic acid methyl ester (8CI 9CI ACI)

1-Hydroxy-cyclopropanecarboxylic acid methyl esterSCHEMBL390361Cyclopropanecarboxylic acid, 1-hydroxy-, methyl esterSCHEMBL1817253SCHEMBL7677113DTXSID00369780KPJWVJURYXOHOO-UHFFFAOYSA-Nmethyl1-hydroxycyclopropanecarboxylate

데이터베이스 식별자

CAS: 33689-29-1
PubChem CID: 2733178
DTXSID: DTXSID00369780
EC Number: 827-536-5

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 115

물리화학적 성질

끓는 점: 70 °C/13mmHg · 70°C/13mmHg
밀도: 1.346 · 1.346±0.06 g/cm3(Predicted)
인화점: 17 ℃ · 17℃
저장 조건: 2 · Sealed in dry,2-8°C
용해도: 디클로로메탄 또는 메탄올에 용해됨
산도 계수 (pKa): 13.14 · 13.14±0.20(Predicted)
물리적 상태: 액체
색상: 맑은 노란색
InChI: InChI=1S/C5H8O3/c1-8-4(6)5(7)2-3-5/h7H,2-3H2,1H3
InChIKey: KPJWVJURYXOHOO-UHFFFAOYSA-N
SMILES: C1(O)(C(OC)=O)CC1

화학적 성질

Clear yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 2 (100%)

안전 데이터

ridadr: 3277
HS 번호: 29162090
risk_code: 11
safety_code: 16

화학 및 산업

응용 분야

용도1-Hydroxycyclopropanecarboxylic Acid Methyl Ester (cas# 33689-29-1) is a compound useful in organic synthesis.

상·하류 제품 정보

상류 원료

하류 제품

피라졸

공급사93 곳

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

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

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

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

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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