1,1,1-Trifluoro-2-trifluoromethyl-2-hydroxy-4-methyl-5-pentyl methacrylate

HCID 18443720

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 853064-87-6
표준 SMILES: C=C(C)C(=O)OCC(C)CC(O)(C(F)(F)F)C(F)(F)F
InChIKey: WNAVFWSIXYHORQ-UHFFFAOYSA-N
분자식: C11H14F6O3
평균 분자량: 308.22 g/mol
단동위원소 질량: 308.08471328

이름 및 식별자

우선 이름: 1,1,1-Trifluoro-2-trifluoromethyl-2-hydroxy-4-methyl-5-pentyl methacrylate
IUPAC: [5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentyl] 2-methylprop-2-enoate
영어명: 1,1,1-Trifluoro-2-(trifluoromethyl)-2-hydroxy-4-methyl-5-pentyl methacrylate
분자식: C11H14F6O3
분자량: 308.22

이름 및 동의어

1,1,1-Trifluoro-2-trifluoromethyl-2-hydroxy-4-methyl-5-pentyl methacrylateRefChem:409448663-483-2853064-87-65,5,5-Trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentyl methacrylate5,5,5-Trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentyl 2-methylprop-2-enoateSCHEMBL2976959DTXSID40593825[5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentyl] 2-methylprop-2-enoate1,1,1-Trifluoro-2-(trifluoromethyl)-2-hydroxy-4-methyl-5-pentyl methacrylate, >97%2-Propenoic acid, 2-methyl-, 5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentyl ester1,1,1-Trifluoro-2-(trifluoromethyl)-2-hydroxy-4-methyl-5-pentyl methacrylate

이름 더 보기

1,1,1-Trifluoro-2-(trifluoromethyl)-2-hydroxy-4Chemicalbook-methyl-5-pentylmethacrylate

데이터베이스 식별자

CAS: 853064-87-6
PubChem CID: 18443720
DTXSID: DTXSID40593825
EC Number: 663-483-2
Nikkaji: J2.734.605G

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 9
회전 가능 결합 수: 6
무거운 원자 수: 20
형식 전하: 0
복잡도: 357

물리화학적 성질

끓는 점: 291.3 · 291.3±40.0 °C(Predicted)
밀도: 1.302 g/mL · 1.302 g/mL at 25 °C
인화점: 110 ℃ · >110℃
산도 계수 (pKa): 9.56 · 9.56±0.29(Predicted)

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 38 reports by companies from 1 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.