2-Fluoro-3-methoxybenzaldehyde

HCID 3774463CAS 103438-88-6

기본 정보

표준 SMILES: COc1cccc(C=O)c1F
InChIKey: LIHCOUDNHILORI-UHFFFAOYSA-N
분자식: C8H7FO2
평균 분자량: 154.14 g/mol
단동위원소 질량: 154.04300768

이름 및 식별자

우선 이름: 2-Fluoro-3-methoxybenzaldehyde
IUPAC: 2-fluoro-3-methoxybenzaldehyde
영어명: 2-Fluoro-3-methoxybenzaldehyde
분자식: C8H7FO2
분자량: 154.14

이름 및 동의어

2-Fluoro-3-methoxybenzaldehyde103438-88-6DTXSID50396248RefChem:260870DTXCID80347107628-435-7MFCD034119622-fluoro-3-methoxy benzaldehyde2-fluoro-3-methoxy-benzaldehydeBenzaldehyde, 2-fluoro-3-methoxy-SCHEMBL8896flouro-3-methoxybenzaldehyde

이름 더 보기

2-Fluoro-3-formylanisole2-Fluoro-3-methoxybenzaldehyde96%2-Fluoro-3-methoxybenzaldehyde 96%2-fluoro-3-methoxybenzaldehyde - [AC77538]

CK21062-Fluoro-3SBB0687622-Fluoro-3-methoxybenzaldehyde, 97%AKOS015917491AB14344PS-8889SY064718

데이터베이스 식별자

CAS: 103438-88-6
PubChem CID: 3774463
DTXSID: DTXSID50396248
EC Number: 628-435-7
Nikkaji: J2.981.412K

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 138

물리화학적 성질

녹는점: 47 · 47-51 °C (lit.)
끓는 점: 239.9 · 239.9±20.0 °C(Predicted)
밀도: 1.192 · 1.192±0.06 g/cm3(Predicted)
인화점: 110 °C · 110 °C
저장 조건: 2 · Inert atmosphere,2-8°C
물리적 상태: claggy powder
색상: Sandy beige
InChI: 1S/C8H7FO2/c1-11-7-4-2-3-6(5-10)8(7)9/h2-5H,1H3
InChIKey: LIHCOUDNHILORI-UHFFFAOYSA-N
SMILES: [H]C(=O)c1cccc(OC)c1F

화학적 성질

White to yellow crystalline solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (87.5%)

안전 데이터

wgk: 3
HS 번호: 29130000
risk_code: 22-37/38-41-43
hazard_code: Xn,Xi
safety_code: 26-36
위험 참고 사항: Irritant/Keep Cold
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Fluoro-3-methoxybenzaldehyde is an intermediate in the synthesis of benzylidene-1,3-thiazolidine-2,4-diones as potent and selective inhibitors of the PIM-1, PIM-2, and PIM-3 protein kinases.