2-Fluoro-5-methoxybenzonitrile

HCID 2774546CAS 127667-01-0

기본 정보

표준 SMILES: COc1ccc(F)c(C#N)c1
InChIKey: VBZLRHYLNXWZIU-UHFFFAOYSA-N
분자식: C8H6FNO
평균 분자량: 151.14 g/mol
단동위원소 질량: 151.04334203

이름 및 식별자

우선 이름: 2-Fluoro-5-methoxybenzonitrile
IUPAC: 2-fluoro-5-methoxybenzonitrile
영어명: 2-Fluoro-5-methoxybenzonitrile
분자식: C8H6FNO
분자량: 151.14

이름 및 동의어

2-Fluoro-5-methoxybenzonitrile127667-01-0DTXSID30379094RefChem:87102DTXCID30330120603-210-6Benzonitrile, 2-fluoro-5-methoxy-MFCD001429213-Cyano-4-fluoroanisole2-Fluoro-5-methoxy-benzonitrileSCHEMBL10171452-Fluoro-5-methoxy benzonitrile

이름 더 보기

BUTTPARK 80\01-216-Fluoro-m-anisonitrileFluoromethoxybenzonitrile2-fluoro-methoxybenzonitrile2-Fluoro-5-methyloxybenzonitrile2-Fluoro-5-methoxybenzonitrile98%

CL8165AKOS005258058CS-W001229BP-131712-Fluoro-5-methoxybenzonitrile, AldrichCPRFluoromethoxybenzonitrile22-fluoro-5-methoxybenzenecarbonitrileAM61296

데이터베이스 식별자

CAS: 127667-01-0
PubChem CID: 2774546
DTXSID: DTXSID30379094
EC Number: 603-210-6
Nikkaji: J331.595I

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: 77 · 77-80°C
끓는 점: 232.7 · 232.7±25.0 °C(Predicted)
밀도: 1.18 · 1.18±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
InChI: 1S/C8H6FNO/c1-11-7-2-3-8(9)6(4-7)5-10/h2-4H,1H3
InChIKey: VBZLRHYLNXWZIU-UHFFFAOYSA-N
SMILES: Fc1c(cc(cc1)OC)C#N

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301+H311+H331 (11.1%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (33.3%)

안전 데이터

wgk: 3
ridadr: 3439
HS 번호: 29269090
risk_code: 20/21/22-36/37/38-36/38
hazard_code: T
safety_code: 26-36/37/39-45-36/37
포장분류: III
위험 등급: 6.1
위험 참고 사항: Toxic
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralSkin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects