2,2,3,3-사메틸 시클로프로판 카르복실산

2,2,3,3-Tetramethylcyclopropanecarboxylic acid

HCID 152115CAS 15641-58-4
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC1(C)C(C(=O)O)C1(C)C
InChIKey
SFHVXKNMCGSLAR-UHFFFAOYSA-N
분자식
C8H14O2
평균 분자량
142.2 g/mol
단동위원소 질량
142.09937969

이름 및 식별자

우선 이름
2,2,3,3-Tetramethylcyclopropanecarboxylic acid
IUPAC
2,2,3,3-tetramethylcyclopropane-1-carboxylic acid
현지명
2,2,3,3-사메틸 시클로프로판 카르복실산
영어명
2,2,3,3-TETRAMETHYLCYCLOPROPANECARBOXYLIC ACID
분자식
C8H14O2
분자량
142.2

이름 및 동의어

2,2,3,3-Tetramethylcyclopropanecarboxylic acid15641-58-4CHEBI:39355DTXSID30166082RefChem:80829DTXCID2088573tetramethylcyclopropane-1-carboxylic acid2,2,3,3-tetramethylcyclopropane-1-carboxylic acidCyclopropanecarboxylic acid, 2,2,3,3-tetramethyl-MFCD000115382,2,3,3-Tetramethylcyclopropane-1-carboxylic Acid; 2,2,3,3-Tetramethylcyclopropylcarboxylic Acid2,2,3,3-Tetramethylcyclopropanecarboxylicacid
이름 더 보기
2,2,3,3-사메틸시클로프로판카르복실산2,2,3,3-테트라메틸사이클로프로페인카복실산Chrysanthemic acidChrysanthemum Acid2,2,3,3 - Tetramethyl Cyclopropane - Carboxylic Acid (Tmpa)Fenpropathric acid3-Carboxy-1,1,2,2-tetramethylcyclopropane2,2,3,3-Tetramethylcyclopropylcarboxylic acid2，2，3，3-tetramethylcyclopropan carboxylic acid
SCHEMBL221717SBB053469AKOS005073492AC-4440MS-5005MSK168667-100MBP-12722SY003993

데이터베이스 식별자

CAS
15641-58-4
PubChem CID
152115
DTXSID
DTXSID30166082
ChEBI
CHEBI:39355
EC Number
627-306-2
Nikkaji
J23.498B

물성

구조 계산 물성

XLogP
1.9
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
10

물리화학적 성질

녹는점
120 · 120-121 °C(lit.)
끓는 점
204.8 · 204.8±8.0 °C(Predicted)
밀도
0.999 · 0.999±0.06 g/cm3(Predicted)
저장 조건
Inert atmosphere,Room Temperature
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
기름

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): 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)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

안전 데이터

wgk
3
HS 번호
29162090
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39
위험 등급
IRRITANT

화학 및 산업

응용 분야 · 2건

용도2,2,3,3-Tetramethylcyclopropanecarboxylic Acid is the cyclic analogue of the antiepileptic drug, Valproic Acid (V094750). 2,2,3,3-Tetramethylcyclopropanecarboxylic Acid is the starting material used in the synthesis of CNS-active compounds.

일반 설명2,2,3,3-Tetramethylcyclopropanecarboxylic acid is an inactive cyclopropyl analog of valproic acid (major antiepileptic drug). Inhibition of histone deacetylases and tumor cells cytotoxicities of 2,2,3,3-tetramethylcyclopropanecarboxylic acid was studied.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]

추가 설명

정의ChEBI: A monocarboxylic acid consisting of cyclopropanecarboxylic acid having four methyl substituents.

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