2-Phenylthiophene

HCID 69999CAS 56842-14-9

기본 정보

표준 SMILES: c1ccc(-c2cccs2)cc1
InChIKey: PJRGDKFLFAYRBV-UHFFFAOYSA-N
분자식: C10H8S
평균 분자량: 160.24 g/mol
단동위원소 질량: 160.03467126

이름 및 식별자

우선 이름: 2-Phenylthiophene
IUPAC: 2-phenylthiophene
영어명: 2-PHENYLTHIOPHENE
분자식: C10H8S
분자량: 160.24

이름 및 동의어

2-Phenylthiophene825-55-8DTXSID00876227RefChem:1064178DTXCID801014335871-873-0Thiophene, 2-phenyl-2-phenyl-thiopheneMFCD001300802-phenylthiofuran2- phenylthiophene2-Phenylthiophene, 95%

이름 더 보기

5-PHENYLTHIOPHENE2-Phenylthiophene>Thiophene, 2-phenyl-2-Phenylthiophene,96%2-Phenylthiophene 95%2-Phenylthiophene in isooctane2-PHENYLTHIOPHENE ISO 9001：2015 REACH

PJRGDKFLFAYRBV-UHFFFAOYSA-CS-M2658EN300-1780456842-14-9Thiophene, phenyl-Thiophene, 2-phenyl2-phenyithiopheneFT-0613350

데이터베이스 식별자

CAS: 56842-14-9、825-55-8
PubChem CID: 69999
DTXSID: DTXSID00876227
EC Number: 871-873-0
Nikkaji: J112.969D

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 28.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 116

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Thiophenes

물리화학적 성질

녹는점: 34 · 34-36 °C(lit.)
끓는 점: 256 °C · 256 °C(lit.)
밀도: 1.0645 · 1.0645 (rough estimate)
굴절률: 1.65 · 1.6500 (estimate)
인화점: 109 °C · 109 °C
저장 조건: 2 · 2-8°C
물리적 상태: 결정질 저융점 질량
색상: 흰색~밝은 베이지
InChI: InChI=1S/C10H8S/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-8H
InChIKey: PJRGDKFLFAYRBV-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2)SC=CC=1
EPA: 2 · Thiophene, 2-phenyl- (825-55-8)

화학적 성질

white to light beige crystalline low melting mass

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.