cis-2-Fluorocyclopropanecarboxylic acid

HCID 9793716

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 105919-34-4
표준 SMILES: O=C(O)[C@@H]1C[C@@H]1F
InChIKey: HZQKMZGKYVDMCT-GBXIJSLDSA-N
분자식: C4H5FO2
평균 분자량: 104.08 g/mol
단동위원소 질량: 104.02735756

이름 및 식별자

우선 이름: cis-2-Fluorocyclopropanecarboxylic acid
IUPAC: cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid
영어명: (1S,2S)-2-fluorocyclopropanecarboxylic acid
분자식: C4H5FO2
분자량: 104.08

이름 및 동의어

105919-34-4cis-2-fluorocyclopropanecarboxylic acidRefChem:394025852-129-4(1S,2S)-2-fluorocyclopropanecarboxylic acid127199-14-8(1s,2s)-2-fluorocyclopropane-1-carboxylic acidCyclopropanecarboxylic acid, 2-fluoro-, (1S,2S)-MFCD19237459cis-2-Fluoro-cyclopropanecarboxylic acidcis-2-Fluorocyclopropane-1-carboxylic acidSitafloxacin Impurity 28

이름 더 보기

-rel-2-Fluorocyclopropanecarboxylic acidCyclopropanecarboxylic acid, 2-fluoro-, cis-cis-2-Fluorocyclopropanecarboxylic acid, 99.7%rel-(1R,2R)-2-Fluorocyclopropanecarboxylic acid(1S,2S)-rel-2-Fluorocyclopropanecarboxylic acid(1S,2S)-cis-2-Fluorocyclopropanecarboxylic acidCyclopropanecarboxylic acid, 2-fluoro-, (1S-cis)-

(cis)-2-fluorocyclopropanecarboxylic acid(1S,2S)-2-fluorocyclopropanecarboxylicacidSCHEMBL1463730HZQKMZGKYVDMCT-GBXIJSLDSA-NDTXSID901262266CFA19914CS1221AKOS006294678

데이터베이스 식별자

CAS: 105919-34-4、127199-14-8
PubChem CID: 9793716
DTXSID: DTXSID901262266
EC Number: 813-065-2、852-129-4
Nikkaji: J790.393F

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 102

물리화학적 성질

녹는점: 71 · 71-72 °C
끓는 점: 202.3 · 202.3±33.0 °C(Predicted)
밀도: 1.35 · 1.35±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 3.78 · 3.78±0.20(Predicted)
물리적 상태: 고체
색상: 하얀색
InChI: InChI=1/C4H5FO2/c5-3-1-2(3)4(6)7/h2-3H,1H2,(H,6,7)/t2-,3+/s3
InChIKey: HZQKMZGKYVDMCT-SAIMQKSHNA-N
SMILES: [C@H]1(C(O)=O)C[C@H]1F |&1:0,5,r|

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (75%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (25%): 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]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 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.

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.