5-(메톡시메틸)-2-푸랄데하이드

5-(Methoxymethyl)-2-furaldehyde

HCID 74711CAS 1917-64-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COCc1ccc(C=O)o1
InChIKey: ASHVULSQMDWKFO-UHFFFAOYSA-N
분자식: C7H8O3
평균 분자량: 140.14 g/mol
단동위원소 질량: 140.04734411

이름 및 식별자

우선 이름: 5-(Methoxymethyl)-2-furaldehyde
IUPAC: 5-(methoxymethyl)furan-2-carbaldehyde
현지명: 5-(메톡시메틸)-2-푸랄데하이드
영어명: 5-(Methoxymethyl)-2-furaldehyde
분자식: C7H8O3
분자량: 140.14

이름 및 동의어

5-(methoxymethyl)furan-2-carbaldehyde5-(METHOXYMETHYL)-2-FURALDEHYDE5-(Methoxymethyl)-2-furancarboxaldehyde2-Furancarboxaldehyde, 5-(methoxymethyl)-5-methoxymethylfurfural5XBV4H5CX7DTXSID30172704EC 700-511-5RefChem:531367DTXCID3095195700-511-51917-64-2

이름 더 보기

5-(메톡시메틸)-2-푸랄데하이드AKOS B001201)furan-2-carbaLART-CHEM-BB B001201Furfural Impurity 355-(Methoxymethyl)furfural5-METHOXYMETHYL-FURAN-2-CARBALDEHYDE2-Furancarboxaldehyde,5-(methoxymethyl)-

5-Methoxymethylfuran-2-carbaldehyde5-Methoxymethyl furfuralMFCD02253954ICCB1_0000905-(Methoxymethyl)furan-2-carboxaldehydeUNII-5XBV4H5CX75-Methoxymethyl-2-furaldehydeSCHEMBL721921

데이터베이스 식별자

CAS: 1917-64-2
PubChem CID: 74711
DTXSID: DTXSID30172704
ChEBI: CHEBI:229022
UNII: 5XBV4H5CX7
EC Number: 700-511-5
Nikkaji: J358.089J

물성

구조 계산 물성

XLogP: 0
극성 표면적: 39.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 10
형식 전하: 0
복잡도: 113

물리화학적 성질

녹는점: -8 °C · -8 °C
끓는 점: 68 · 68-70 °C(Press: 2 Torr)
밀도: 1.146 g/cm3 · 1.146 g/cm3(Temp: 17.9 °C)
증기압: 1.8 · 1.8-3.2Pa at 20-25℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 액체
색상: 밝은 노란색에서 노란색까지
InChI: InChI=1S/C7H8O3/c1-9-5-7-3-2-6(4-8)10-7/h2-4H,5H2,1H3
InChIKey: ASHVULSQMDWKFO-UHFFFAOYSA-N
SMILES: O1C(COC)=CC=C1C=O
LogP: 0.23 at · 0.23 at 20℃ and pH6.4-6.6
표면장력: 70.8 mN/m · 70.8mN/m at 1g/L and 20℃

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H410 (66.7%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]；H411 (33.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 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.

유해성 정보

Regulatory InformationStatus: Active Update: 12-07-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/10620

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Skin Sens. 1B (100%)；Eye Irrit. 2 (66.7%)；Aquatic Chronic 1 (66.7%)；Aquatic Chronic 2 (33.3%)

규제 정보

Regulatory InformationStatus: Active Update: 12-07-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/10620

안전 데이터

HS 번호: 2932190090

화학 및 산업

상·하류 제품 정보

하류 제품

5-(Methoxymethyl)-2-furoic acid

공급사50 곳

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

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