4-Ethynyl-1-fluoro-2-methylbenzene

HCID 16213797

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 351002-93-2
표준 SMILES: C#Cc1ccc(F)c(C)c1
InChIKey: GSGKOWLZNQXGAI-UHFFFAOYSA-N
분자식: C9H7F
평균 분자량: 134.15 g/mol
단동위원소 질량: 134.05317839

이름 및 식별자

우선 이름: 4-Ethynyl-1-fluoro-2-methylbenzene
IUPAC: 4-ethynyl-1-fluoro-2-methylbenzene
영어명: 4-Ethynyl-1-fluoro-2-methylbenzene 97
분자식: C9H7F
분자량: 134.15

이름 및 동의어

4-Ethynyl-1-fluoro-2-methylbenzene351002-93-2DTXSID30584121RefChem:98928DTXCID10534886625-006-6MFCD062006824-ethynyl-1-fluoro-2-methyl-Benzene4-Ethynyl-1-fluoro-2-methylbenzene, 97%2-AMINO-2-(1-METHYLCYCLOPROPYL)PROPIONICACIDSCHEMBL1477519SCHEMBL9996657

이름 더 보기

Benzene, 4-ethynyl-1-fluoro-2-Methyl-4-Ethynyl-1-fluoro-2-methylbenzene 974-Ethynyl-1-fluoro-2-methylbenzene 97%Benzene, 4-ethynyl-1-fluoro-2-methyl- (9CI)

1-Ethynyl-4-fluoro-3-methyl-benzeneAKOS010651630AS-86852SY508548CS-0225238F71968J-0198EN300-1231826

데이터베이스 식별자

CAS: 351002-93-2
PubChem CID: 16213797
DTXSID: DTXSID30584121
EC Number: 625-006-6
Nikkaji: J2.320.696J

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 153

물리화학적 성질

끓는 점: 169 · 169-170 °C (lit.)
밀도: 1.007 g/mL · 1.007 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.5210(lit.)
인화점: 100 °F · 100 °F
저장 조건: 2 · 2-8°C
InChI: 1S/C9H7F/c1-3-8-4-5-9(10)7(2)6-8/h1,4-6H,2H3
InChIKey: GSGKOWLZNQXGAI-UHFFFAOYSA-N
SMILES: Cc1cc(ccc1F)C#C

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P354+P338, P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Eye Dam. 1 (100%)

안전 데이터

wgk: 3
ridadr: UN 1993 3/PG 3
risk_code: 10-41
hazard_code: Xi
safety_code: 26-39
Hazard Classifications: Eye Dam. 1Flam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야

일반 설명4-Ethynyl-1-fluoro-2-methylbenzene has been reported to afford 1,4-disubstituted 1,2,3-triazole on reaction with azide under typical Cu(I)-catalyzed azide alkyne cycloaddition (CuAAC) conditions.