Benzylacetylene (HCID 575753)

이름 및 식별자

우선 이름: Benzylacetylene
IUPAC: prop-2-ynylbenzene
영어명: 3-PHENYL-1-PROPYNE
분자식: C9H8
분자량: 116.16

이름 및 동의어

3-Phenyl-1-propyne10147-11-2Propargylbenzeneprop-2-yn-1-ylbenzene(2-Propynyl)benzeneBenzylacetylene3-phenylpropyneBenzene, (2-propynyl)-benzene, 2-propynyl-EU32H24A0APROPYNE, 3-PHENYL-DTXSID00143941

이름 더 보기

3-PHENYL-1-PROPYNE 97%3-benzene-1-propargyneBenzene, 2-propyn-1-yl-3-Phenyl-1-propyne, 97%, stab.

RefChem:566928DTXCID2066432629-124-9InChI=1/C9H8/c1-2-6-9-7-4-3-5-8-9/h1,3-5,7-8H,6Hprop-2-ynylbenzeneMFCD00134431(prop-2-yn-1-yl)benzene3-Phenyl-1-propyne (stabilised with BHT)

데이터베이스 식별자

CAS: 10147-11-2
PubChem CID: 575753
DTXSID: DTXSID00143941
UNII: EU32H24A0A
EC Number: 629-124-9
Nikkaji: J371.303B

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 109

실험 및 물리화학적 성질

SpringerMaterials PropertiesDensity

물리화학적 성질

끓는 점: 75 °C20 · 75 °C20 mm Hg(lit.)
밀도: 0.934 g/mL · 0.934 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.526(lit.)
인화점: 126 °F · 126 °F
저장 조건: Flammables area
용해도: 클로로포름(소량으로 용해), DMSO(약간 용해됨)
물리적 상태: 액체
Specific Gravity: 0.934 · 0.934
색상: 무색~황색으로 투명함
안정성: 휘발성 물질
InChI: 1S/C9H8/c1-2-6-9-7-4-3-5-8-9/h1,3-5,7-8H,6H2
InChIKey: NGKSKVYWPINGLI-UHFFFAOYSA-N
SMILES: C#CCc1ccccc1

화학적 성질

Clear colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (91.3%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (91.3%)

안전 데이터

wgk: 3
ridadr: UN 3295 3/PG 3
HS 번호: 29029090
risk_code: 10-36/37/38
hazard_code: Xi
safety_code: 16-26-36/37/39-37/39
포장분류: III
위험 등급: 3.2
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 2건

용도3-Phenyl-1-propyne is used as a starting material in the synthesis of 4-phenyl-2-butyn-1-ol. It is also used in the preparation of beta-hydroxytriazoles and indoles.

일반 설명3-Phenyl-1-propyne is a 3-aryl-1-propyne. The electronic transition of the resonance-stabilized 1-phenylpropargyl radical, produced in a jet-cooled discharge of 3-phenyl-1-propyne, has been studied by laser-induced fluorescence excitation and dispersed single vibronic level fluorescence (SVLF) spectroscopy. The microwave rotational spectrum of 3-phenyl-1-propyne (propargyl benzene) has been studied and its stable conformation is reported to have coplanar carbon atoms. Reaction of N-methyl-N-phenylhydrazine or N-phenylhydrazine with 3-phenyl-1-propyne is reported to yield indoles. 3-Phenyl-1-propyne is reported to react with styrene oxide and sodium azide, to afford β-hydroxytriazoles.