1,2-시클로프로판디카르복실산,모노에틸에스테르,(1R,2R)-(9CI)

(1R,2R)-2-(ethoxycarbonyl)cyclopropane-1-carboxylic acid

HCID 11535603

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 31420-66-3
표준 SMILES: CCOC(=O)[C@@H]1C[C@H]1C(=O)O
InChIKey: BRVQFDJETHFEQY-RFZPGFLSSA-N
분자식: C7H10O4
평균 분자량: 158.15 g/mol
단동위원소 질량: 158.0579088

이름 및 식별자

우선 이름: (1R,2R)-2-(ethoxycarbonyl)cyclopropane-1-carboxylic acid
IUPAC: trans-(1R,2R)-2-ethoxycarbonylcyclopropane-1-carboxylic acid
현지명: 1,2-시클로프로판디카르복실산,모노에틸에스테르,(1R,2R)-(9CI)
영어명: 1,2-Cyclopropanedicarboxylicacid,monoethylester,(1R,2R)-(9CI)
분자식: C7H10O4
분자량: 158.15

이름 및 동의어

613261-14-6(1R,2R)-2-(ETHOXYCARBONYL)CYCLOPROPANE-1-CARBOXYLIC ACIDrac-(1R,2R)-2-(ethoxycarbonyl)cyclopropane-1-carboxylic acidRefChem:393177831-163-3976-061-031420-66-3trans-2-(Ethoxycarbonyl)cyclopropanecarboxylic acidTRANS-1,2-CYCLOPROPANE-DICARBOXYLIC ACID MONO ETHYL ESTERMFCD263834051,2-Cyclopropanedicarboxylic acid, monoethyl ester, (1R,2R)-(1R,2R)-2-(ethoxycarbonyl)cyclopropanecarboxylic acid

이름 더 보기

1,2-시클로프로판디카르복실산,모노에틸에스테르,(1R,2R)-(9CI)(1R,2R)-2-ethoxycarbonylcyclopropanecarboxylic acidtrans?cyclopropane?1,2?dicarboxylic acid monoethyl ester(-)-(R,R)-cyclopropane-1,2-dicarboxylic acid ethyl ester1,2-Cyclopropanedicarboxylic acid, 1-ethyl ester, (1R,2R)-1,2-Cyclopropanedicarboxylicacid,monoethylester,(1R,2R)-(9CI)

MFCD08702983(1R,2R)-2-ethoxycarbonylcyclopropane-1-carboxylic acid1,2-Cyclopropanedicarboxylicacid, 1-ethyl ester, (1R,2R)-rel-BRVQFDJETHFEQY-RFZPGFLSSA-NSCHEMBL1223256GBA42066AKOS006290525AS-42476

데이터베이스 식별자

CAS: 31420-66-3、613261-14-6
PubChem CID: 11535603
EC Number: 831-163-3、976-061-0

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 63.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 11
형식 전하: 0
복잡도: 187

물리화학적 성질

녹는점: 58 · 58-60 °C(Solv: ligroine (8032-32-4))
끓는 점: 130 · 130-134 °C(Press: 1.5 Torr)
밀도: 1.322 · 1.322±0.06 g/cm3(Predicted)
산도 계수 (pKa): 4.14 · 4.14±0.11(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.