4-(Difluoromethoxy)benzonitrile

HCID 2736990CAS 90446-25-6

기본 정보

표준 SMILES: N#Cc1ccc(OC(F)F)cc1
InChIKey: OGMOYCCCAFJQKI-UHFFFAOYSA-N
분자식: C8H5F2NO
평균 분자량: 169.13 g/mol
단동위원소 질량: 169.03392022

이름 및 식별자

우선 이름: 4-(Difluoromethoxy)benzonitrile
IUPAC: 4-(difluoromethoxy)benzonitrile
영어명: 4-(Difluoromethoxy)benzonitrile
분자식: C8H5F2NO
분자량: 169.13

이름 및 동의어

4-(difluoromethoxy)benzonitrile90446-25-6DTXSID50920380RefChem:515841DTXCID601349291670-827-5MFCD00085006SCHEMBL9328871-Cyano-4-(difluoromethoxy)benzeneCK1058STK3130774-(difluoromethoxy)benzenecarbonitrile

이름 더 보기

AKOS B018635ART-CHEM-BB B018635Benzonitrile, 4-(difluoromethoxy)-4-(Difluoromethoxy)benzonitrile98%4-(Difluoromethoxy)benzonitrile 98%4-Cyano-alpha,alpha-difluoroanisole, 4-Cyanophenyl difluoromethyl ether

AS-18825SY032268CS-0094686D4955EN300-07860Z559288024-Cyanophenyl difluoromethyl ether4-difluoromethoxybenzonitrile

데이터베이스 식별자

CAS: 90446-25-6
PubChem CID: 2736990
DTXSID: DTXSID50920380
EC Number: 670-827-5
Nikkaji: J870.272A

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 33 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 179

물리화학적 성질

녹는점: 40 · 40-42
끓는 점: 245 ℃ · 245℃
밀도: 1.26 · 1.26
인화점: 102 ℃ · 102℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 메탄올에 용해됨
물리적 상태: powder to lump to clear liquid
색상: White or Colorless to Orange to Green

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301+H311+H331 (33.3%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.