3-Fluoro-4-methoxybenzonitrile (HCID 2774548)

이름 및 식별자

우선 이름: 3-Fluoro-4-methoxybenzonitrile
IUPAC: 3-fluoro-4-methoxybenzonitrile
영어명: 3-Fluoro-4-methoxybenzonitrile
분자식: C8H6FNO
분자량: 151.14

이름 및 동의어

3-Fluoro-4-methoxybenzonitrile331-62-4DTXSID90379095RefChem:93911DTXCID90330121608-835-84-Cyano-2-fluoroanisoleMFCD002158353-Fluoro-4-methoxybenzonitileSCHEMBL3130993-fluoro-4-methoxy benzonitrile3-Fluoro-4-methoxybenzonitrile, 97%

이름 더 보기

Phenyl Acetate Impurity 22Fluoromethoxybenzonitrile53-fluoro-4-methoxy-carbonitrile3-Fluoro-4-methoxybenzonitrile>3-Fluoro-4-methoxybenzonitrile98%3-Fluoro-4-methoxybenzonitrile 98%4-FLUORO-3-METHOXYBENZONITRILE, 98+%

CS-W002524PS-6574SY0164602-fluoro-4-cyanoanisole3-fluoro-4-methoxy-benzonitrileBenzonitrile, 3-fluoro-4-methoxy-3-fluoranyl-4-me3-fluoro-4-methoxybenzenecarbonitrile

데이터베이스 식별자

CAS: 331-62-4
PubChem CID: 2774548
DTXSID: DTXSID90379095
EC Number: 608-835-8
Nikkaji: J1.298.330A

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 33 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 174

물리화학적 성질

녹는점: 97 · 97-101 °C
끓는 점: 96 · 96-98°C/1mm
밀도: 1.18 · 1.18±0.1 g/cm3(Predicted)
인화점: 96 · 96-98°C/1mm
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
InChI: 1S/C8H6FNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,1H3
InChIKey: FEEOVAOEPGQDTJ-UHFFFAOYSA-N
SMILES: COc1ccc(cc1F)C#N

화학적 성질

Colorless solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (16.7%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (16.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (16.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (33.3%)；Acute Tox. 3 (16.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 3 (16.7%)；STOT SE 3 (16.7%)