2,2-디클로로-1-메틸시클로프로판카르복실산

2,2-Dichloro-1-methylcyclopropanecarboxylic acid

HCID 102621CAS 1447-14-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1(C(=O)O)CC1(Cl)Cl
InChIKey: BIUUWIKPBYWKEQ-UHFFFAOYSA-N
분자식: C5H6Cl2O2
평균 분자량: 169 g/mol
단동위원소 질량: 167.9744848

이름 및 식별자

우선 이름: 2,2-Dichloro-1-methylcyclopropanecarboxylic acid
IUPAC: 2,2-dichloro-1-methylcyclopropane-1-carboxylic acid
현지명: 2,2-디클로로-1-메틸시클로프로판카르복실산
영어명: 2,2-Dichloro-1-methylcyclopropanecarboxylic acid
분자식: C5H6Cl2O2
분자량: 169.01

이름 및 동의어

2,2-Dichloro-1-methylcyclopropanecarboxylic acid1447-14-9EINECS 215-901-6RefChem:80973215-901-62,2-dichloro-1-methylcyclopropane-1-carboxylic acid2,2-Dichloro-1-methyl-cyclopropanecarboxylic acidMFCD00001291Cyclopropanecarboxylic acid, 2,2-dichloro-1-methyl-DTXSID309323851-Methyl-2,2-dichlorocyclopropanecarboxylic acidSTK208439

이름 더 보기

2,2-디클로로-1-메틸시클로프로판카르복실산LABOTEST-BB LT00452792Cyclopropanecarboxylicacid, 2,2-dichloro-1-methyl-1-Methyl-2,2-dichlorocyclopropane-1-carboxylic acid2,2-Dichloro-1-methyl-cyclopropanecarboxylic acid 98%

AKOS016890707CS-0204450EN300-213322,2-dichloro-1-methyl-1-cyclopropanecarboxylic acidSCHEMBL248943ALBB-026456STR05205SBB057761

데이터베이스 식별자

CAS: 1447-14-9
PubChem CID: 102621
DTXSID: DTXSID30932385
EC Number: 215-901-6
Nikkaji: J298.630B

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 166

물리화학적 성질

녹는점: 60 · 60-65 °C (lit.)
끓는 점: 85 °C/8 · 85 °C/8 mmHg (lit.)
밀도: 1.301 · 1.3010 (estimate)
산도 계수 (pKa): 3.51 · 3.51±0.50(Predicted)
물리적 상태: solid
BRN: 1937304 · 1937304
InChI: 1S/C5H6Cl2O2/c1-4(3(8)9)2-5(4,6)7/h2H2,1H3,(H,8,9)
InChIKey: BIUUWIKPBYWKEQ-UHFFFAOYSA-N
SMILES: CC1(CC1(Cl)Cl)C(O)=O

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 (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)

Aggregated GHS information provided per 40 reports by companies from 3 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.