Pentamethylbenzene

HCID 12784CAS 700-12-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cc(C)c(C)c(C)c1C
InChIKey: BEZDDPMMPIDMGJ-UHFFFAOYSA-N
분자식: C11H16
평균 분자량: 148.24 g/mol
단동위원소 질량: 148.12520051

개요

Pentamethylbenzene is a methylbenzene that is benzene in which five of the hydrogens are replaced by methyl groups.

이름 및 식별자

우선 이름: Pentamethylbenzene
IUPAC: 1,2,3,4,5-pentamethylbenzene
영어명: Pentamethylbenzene
분자식: C11H16
분자량: 148.24474

이름 및 동의어

PENTAMETHYLBENZENE1,2,3,4,5-Pentamethylbenzene700-12-9Benzene, pentamethyl-Benzene, 1,2,3,4,5-pentamethyl-H6JLD3AI98NSC-1889DTXSID6061024CHEBI:38998pentamethylenebenzeneRefChem:171397DTXCID8046614

이름 더 보기

211-837-8PentamethylbenzolMFCD00008522NSC 1889EINECS 211-837-8Pentamethylbenzene, 98%UNII-H6JLD3AI981,3,4,5-Pentamethylbenzene

데이터베이스 식별자

CAS: 700-12-9
PubChem CID: 12784
DTXSID: DTXSID6061024
ChEMBL: CHEMBL5316190
ChEBI: CHEBI:38998
UNII: H6JLD3AI98
EC Number: 211-837-8
Nikkaji: J6.940J

물성

구조 계산 물성

XLogP: 4.6
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 114

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aromatic Hydrocarbons

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP4.56

Vapor Pressure0.03 [mmHg]

Physical DescriptionWhite solid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 54.5 °C · 54.5 °C
끓는 점: 232 °C · 232 °C
밀도: 0.921 g/cm3 · 0.921 g/cm3

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H228 (94.1%): Flammable solid [Danger Flammable solids]

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

Aggregated GHS information provided per 51 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationPentamethylbenzene: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryInduces hepatic microsomal cytochrome P-450 & associated monooxygenases. [ChemIDplus] May cause irritation; [Alfa Aesar MSDS] See Hexamethylbenzene.

Hazard Classes and CategoriesFlam. Sol. 1 (94.1%)