2,2-디메틸-2H-크롬-6-카르보니트릴

2,2-dimethyl-2H-1-benzopyran-6-carbonitrile

HCID 2779074CAS 33143-29-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1(C)C=Cc2cc(C#N)ccc2O1
InChIKey: YDEQIYMIVRCVAH-UHFFFAOYSA-N
분자식: C12H11NO
평균 분자량: 185.22 g/mol
단동위원소 질량: 185.08406397

이름 및 식별자

우선 이름: 2,2-dimethyl-2H-1-benzopyran-6-carbonitrile
IUPAC: 2,2-dimethylchromene-6-carbonitrile
현지명: 2,2-디메틸-2H-크롬-6-카르보니트릴
영어명: 2,2-Dimethyl-2H-chromene-6-carbonitrile
분자식: C12H11NO
분자량: 185.22

이름 및 동의어

2,2-Dimethyl-2H-1-benzopyran-6-carbonitrile2,2-diMeBCNRefChem:9085282,2-dimethyl-2H-chromene-6-carbonitrile33143-29-22,2-dimethylchromene-6-carbonitrileMFCD000849786-Cyano-2,2-diMethyl-2H-benzo-[b]-pyran6-Cyano-2,2-dimethyl-2H-chromene6-Cyano-2,2-dimethylchromene6-Cyano-2,2-dimethylbenzopyran;6-Cyano-2,2-dimethylchromene2H-1-Benzopyran-6-carbonitrile, 2,2-dimethyl-

이름 더 보기

2,2-디메틸-2H-크롬-6-카르보니트릴AKOS 918862,2-DiMethyl-6-cyanochroMene2,2-DiMethyl-6-cyano-2H-1-benzopyran2,2-Dimethyl-2H-chromeme-6-carbonitrile

2,2-Dimethyl-2H-1-benzopyran-6-carbonitrile; 2,2-Dimethyl-6-cyano-2H-1-benzopyran; 2,2-Dimethyl-6-cyanochromene;6-cyano-2,2-dimethyl-2H-1-benzopyranMaybridge1_004898SCHEMBL506743orb3031361SCHEMBL8307384SCHEMBL30523681HMS555G14

데이터베이스 식별자

CAS: 33143-29-2
PubChem CID: 2779074
DTXSID: DTXSID20381262
Nikkaji: J633.641H

물성

구조 계산 물성

XLogP: 3
극성 표면적: 33 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 14
형식 전하: 0
복잡도: 297

물리화학적 성질

녹는점: 45 · 45-49 °C(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 에 용해됨아세톤, 클로로포름, 디클로로메탄, DMSO, 에틸아세테이트
물리적 상태: 고체
색상: 연한 노란색 결정
InChI: 1S/C12H11NO/c1-12(2)6-5-10-7-9(8-13)3-4-11(10)14-12/h3-7H,1-2H3
InChIKey: YDEQIYMIVRCVAH-UHFFFAOYSA-N
SMILES: CC1(C)Oc2ccc(cc2C=C1)C#N

화학적 성질

Pale Yellow Crystalline Solid

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 2932990090
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도6-Cyano-2,2-dimethyl-2H-benzo-[b]-pyran (cas# 33143-29-2) is a compound useful in organic synthesis.

일반 설명2,2-Dimethyl-2H-1-benzopyran-6-carbonitrile (6-Cyano-2,2-dimethyl-2H-1-benzopyran) is a substituted 2,2-dimethyl-2H-1-benzopyran. It can be synthesized by the condensation reaction between 1,1-diethoxy-3-methyl-2-butene and 4-cyanophenol in the presence of pyridine.