1-Ethyl-4-ethynylbenzene

HCID 142425CAS 40307-11-7

기본 정보

표준 SMILES: C#Cc1ccc(CC)cc1
InChIKey: ZNTJVJSUNSUMPP-UHFFFAOYSA-N
분자식: C10H10
평균 분자량: 130.19 g/mol
단동위원소 질량: 130.07825032

이름 및 식별자

우선 이름: 1-Ethyl-4-ethynylbenzene
IUPAC: 1-ethyl-4-ethynylbenzene
영어명: 4-Ethylphenylacetylene
분자식: C10H10
분자량: 130.19

이름 및 동의어

1-ethyl-4-ethynylbenzene40307-11-7Benzene, 1-ethyl-4-ethynyl-DTXSID001933201-ETHYL,4-ETHYNYL-BENZENE4-ethylphenyl acetyleneRefChem:75753DTXCID10115811609-817-2InChI=1/C10H10/c1-3-9-5-7-10(4-2)8-6-9/h1,5-8H,4H2,2H4-Ethylphenylacetylene1-ETHYL-4-ETH-1-YNYLBENZENE

이름 더 보기

CH3CH2C6H4C≡CH4-Ethylethynylbenzene4-Ethylpenylacetylenep-Ethylethynylbenzene4-Ethylphenylacetylene97%4-Ethylphenylacetylene 97%

MFCD00173887P-ETHYLPHENYLACETYLENE1-Ethyl-4-ethynyl-Benzene4-ethyl-1-ethynylbenzeneEthyl-4-ethynylbenzeneSCHEMBL455457SCHEMBL457760SCHEMBL935811

데이터베이스 식별자

CAS: 40307-11-7
PubChem CID: 142425
DTXSID: DTXSID00193320
EC Number: 609-817-2
Nikkaji: J1.737.380C

물성

구조 계산 물성

XLogP: 3
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 129

물리화학적 성질

끓는 점: 30 °C/0.05 · 30 °C/0.05 mmHg (lit.)
밀도: 0.93 g/mL · 0.930 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.5420(lit.)
인화점: 160 °F · 160 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: 무색~연황색
InChI: 1S/C10H10/c1-3-9-5-7-10(4-2)8-6-9/h1,5-8H,4H2,2H3
InChIKey: ZNTJVJSUNSUMPP-UHFFFAOYSA-N
SMILES: CCc1ccc(cc1)C#C

화학적 성질

Yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

안전 데이터

wgk: 3
ridadr: UN 3334
HS 번호: 29029090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 16-26-36-37/39
위험 등급: 9
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도Intermediates of Liquid Crystals

일반 설명1-Ethyl-4-ethynylbenzene undergoes homocoupling reaction in the presence of copper(I) chloride (catalyst) and air (oxidant) to yield symmetrical 1,4-disubstituted 1,3-diyne.