Cyclopropanecarboxylic acid (HCID 15655)

개요

Cyclopropanecarboxylic acid is a monocarboxylic acid and a member of cyclopropanes. It is a conjugate acid of a cyclopropanecarboxylate.

이름 및 식별자

우선 이름: Cyclopropanecarboxylic acid
IUPAC: cyclopropanecarboxylic acid
현지명: 시클로프로판카복산에틸에스테르
영어명: Cyclopropanecarboxylic acid
분자식: C4H6O2
분자량: 86.09

이름 및 동의어

CYCLOPROPANECARBOXYLIC ACID1759-53-1CarboxycyclopropaneCyclopropylcarboxylic acidCyclopropionic acidCyclopropane carboxylic acidNSC-1112DTXSID1040665CHEBI:23500008803351SCPCA cpdRefChem:581141

이름 더 보기

사이클로프로페인카복실릭산사이클로프로판카복실산시클로프로판카복산에틸에스테르싸이클로프로판카르복실산cyclopropanecarboxylicCyclopropane cCyclopropanic acidRARECHEM AL BO 0005Ring propyl forMateOlapali impurity 20

DTXCID9020665217-162-5CyclopropanecarboxylicacidCPC-acidMFCD00001287Cyclopropane-carboxylic acidNSC1112cyclopropyl carboxylic acid

데이터베이스 식별자

CAS: 1759-53-1
PubChem CID: 15655
DTXSID: DTXSID1040665
ChEMBL: CHEMBL4649900
ChEBI: CHEBI:23500
UNII: 008803351S
EC Number: 217-162-5
Nikkaji: J23.483D

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 6
형식 전하: 0
복잡도: 73.6

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Organic Acids

SpringerMaterials PropertiesSchoenflies notation

Vapor Pressure1.53 [mmHg]

Physical DescriptionClear light yellow liquid; mp = 14-17 deg C; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 14 · 14-17 °C (lit.)
끓는 점: 182 · 182-184 °C (lit.)
밀도: 1.081 g/mL · 1.081 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.438(lit.)
인화점: 161 °F · 161 °F
저장 조건: 2 · 2-8°C
용해도: soluble in Chloroform, Ethyl Acetate
물리적 상태: 액체
산도 계수 (pKa): 4.83 · 4.83(at 25℃)
색상: 무색투명~연황색
수소이온지수(pH): 3 · 3 (10g/l, H2O, 22℃)
BRN: 969839 · 969839
InChI: 1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)
InChIKey: YMGUBTXCNDTFJI-UHFFFAOYSA-N
SMILES: OC(=O)C1CC1
LogP: 0.63 · 0.630
NIST: Cyclopropanecarboxylic acid(1759-53-1)
EPA: Cyclopropanecarboxylic acid (1759-53-1)

화학적 성질

clear colourless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 25.5% (37 of 145) of reports.

Danger

H302 (46.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 145 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Cyclopropanecarboxylic acid

Status: Active Update: 29-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/21214

Cyclopropanecarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntraperitoneal LD50 (mouse) = 172 mg/kg; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (46.2%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: GZ1100000
ridadr: UN 3265 8/PG 2
독성: mouse,LD50,intraperitoneal,172mg/kg (172mg/kg),Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969.
HS 번호: 29162000
risk_code: 34-22
hazard_code: C,Xi
safety_code: 26-36/37/39-45-27
포장분류: II
위험 등급: 8
기존화학 물질: KE-09319
위험 참고 사항: Irritant/Corrosive
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

UsesUsed as an intermediate for agrochemicals, pharmaceuticals, and other organic chemicals; [REPROTOX]

General Manufacturing InformationCyclopropanecarboxylic acid: ACTIVE

공급사50 곳

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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

河北立业化学制品有限公司0310-6697998 13930001710 · [email protected]

연결된 노트

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시클로프로판카복산에틸에스테르

기본 정보

개요