카르보닐시안화물페닐히드라존

Carbonyl cyanide phenylhydrazone

HCID 67541

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 306-18-3
표준 SMILES: N#CC(C#N)=NNc1ccccc1
InChIKey: MENUYOGJCXAFFU-UHFFFAOYSA-N
분자식: C9H6N4
평균 분자량: 170.17 g/mol
단동위원소 질량: 170.05924619

이름 및 식별자

우선 이름: Carbonyl cyanide phenylhydrazone
IUPAC: 2-(phenylhydrazinylidene)propanedinitrile
현지명: 카르보닐시안화물페닐히드라존
영어명: carbonyl cyanide phenylhydrazone
분자식: C9H6N4
분자량: 170.17

이름 및 동의어

306-18-3Carbonyl cyanide phenylhydrazonePhenylhydrazonopropanedinitrileDTXSID90184666Propanedinitrile, (phenylhydrazono)-RefChem:123639DTXCID30107157(phenylhydrazono)malononitrilePhenylcarbonohydrazonoyl dicyanideN-phenylcarbonohydrazonoyl dicyanidePropanedinitrile, 2-(2-phenylhydrazinylidene)-2-(phenylhydrazinylidene)propanedinitrile

이름 더 보기

카르보닐시안화물페닐히드라존(2-Phenylhydrazono)malononitrile2-[[Phenyl]hydrazono]malononitrile2-(phenylhydrazono)propanedinitrile

MFCD001959831-cyano-N-phenylmethanecarbohydrazonoyl cyanide2-phenylhydrazonomalononitrile2-(phenyl-hydrazono)-malononitrile2-(phenylhydrazono)malononitrileNSC-29560AKOS000268429CS-0182153

데이터베이스 식별자

CAS: 306-18-3
PubChem CID: 67541
DTXSID: DTXSID90184666
UNII: JDG2QWC68Q
EC Number: 834-905-4
Nikkaji: J367.074K

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 72 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 263

실험 및 물리화학적 성질

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

LogP2.49

물리화학적 성질

녹는점: 131 to · 131.0 to 135.0 °C
끓는 점: 289.7 · 289.7±23.0 °C(Predicted)
밀도: 1.12 · 1.12±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 6.76 · 6.76±0.10(Predicted)
색상: Light yellow to Yellow to Orange
InChI: InChI=1S/C9H6N4/c10-6-9(7-11)13-12-8-4-2-1-3-5-8/h1-5,12H
InChIKey: MENUYOGJCXAFFU-UHFFFAOYSA-N
SMILES: C(#N)/C(=N/NC1=CC=CC=C1)/C#N

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301+H311+H331 (50%): 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, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.