4-[(1,1-DIMETHYLPROP-2-YNYL)옥시]벤조니트릴

4-[(2-Methylbut-3-yn-2-yl)oxy]benzonitrile

HCID 2779072CAS 33143-92-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C#CC(C)(C)Oc1ccc(C#N)cc1
InChIKey: BJBUSSBIFHSXBR-UHFFFAOYSA-N
분자식: C12H11NO
평균 분자량: 185.22 g/mol
단동위원소 질량: 185.08406397

이름 및 식별자

우선 이름: 4-[(2-Methylbut-3-yn-2-yl)oxy]benzonitrile
IUPAC: 4-(2-methylbut-3-yn-2-yloxy)benzonitrile
현지명: 4-[(1,1-DIMETHYLPROP-2-YNYL)옥시]벤조니트릴
영어명: 4-[(1,1-Dimethylprop-2-ynyl)oxy]benzonitrile
분자식: C12H11NO
분자량: 185.22

이름 및 동의어

33143-92-94-((2-Methylbut-3-yn-2-yl)oxy)benzonitrile4-[(2-Methylbut-3-yn-2-yl)oxy]benzonitrileDTXSID00381260RefChem:286333DTXCID30332285640-347-04-[(1,1-DIMETHYLPROP-2-YNYL)OXY]BENZONITRILE4-(2-methylbut-3-yn-2-yloxy)benzonitrileMFCD001742704-[(1,1-dimethyl-2-propynyl)oxy]benzonitrile4-(1,1-dimethyl-2-propynyloxy)benzonitrile

이름 더 보기

4-[(1,1-DIMETHYLPROP-2-YNYL)옥시]벤조니트릴3-(4-CYANOPHENOXY)-3-METHYLBUT-1-YNE4-((2-methyl-3-yne-2-yl)oxy)benzenitrileBenzonitrile, 4-[(1,1-dimethyl-2-propyn-1-yl)oxy]-4-[(1,1-DIMETHYLPROP-2-YNYL)OXY]BENZONITRILE(WXG02676)

AKOS 918854-[(2-Methyl-3-butyn-2-yl)oxy]benzonitrile4-[(1,1-Dimethylprop-2-yn-1-yl)oxy]benzonitrileBenzonitrile,4-[(1,1-dimethyl-2-propyn-1-yl)oxy]-SCHEMBL6948975BJBUSSBIFHSXBR-UHFFFAOYSA-NSBB0902843-(p-cyanophenoxy)-3-methybut-1-yne

데이터베이스 식별자

CAS: 33143-92-9
PubChem CID: 2779072
DTXSID: DTXSID00381260
EC Number: 640-347-0
Nikkaji: J3.611.443F

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 33 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 280

물리화학적 성질

녹는점: 30 °C · 30 °C
끓는 점: 313.4 · 313.4±22.0 °C(Predicted)
밀도: 1.06 · 1.06±0.1 g/cm3(Predicted)
물리적 상태: 고체
색상: 흰색에서 황백색까지

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.