1,3,5-트리에틸벤젠

1,3,5-Triethylbenzene

HCID 7602CAS 102-25-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCc1cc(CC)cc(CC)c1
InChIKey: WJYMPXJVHNDZHD-UHFFFAOYSA-N
분자식: C12H18
평균 분자량: 162.27 g/mol
단동위원소 질량: 162.14085058

개요

structure in first source

이름 및 식별자

우선 이름: 1,3,5-Triethylbenzene
IUPAC: 1,3,5-triethylbenzene
현지명: 1,3,5-트리에틸벤젠
영어명: 1,3,5-TRIETHYLBENZENE
분자식: C12H18
분자량: 162.27

이름 및 동의어

1,3,5-TRIETHYLBENZENE102-25-0Benzene, 1,3,5-triethyl-02K328WWZQNSC-406584DTXSID30881228RefChem:72334DTXCID907867203-017-3MFCD00009261UNII-02K328WWZQEINECS 203-017-3

이름 더 보기

1,3,5-트라이에틸벤젠1,3,5-트리에틸벤젠1,3,5-triethyl-benzen1,3,5-TriethylSYM-TRIETHYLBENZENEGlycerol Impurity 541,3,5-trierhylbenzeneLABOTEST-BB LT004369841,3,5 threeethylbenzene1,3,5-Triethylbenzene >

NSC4065841,5-TriethylbenzeneNSC 406584AI3-04219Benzene,3,5-triethyl-1,3,5-triethyl-benzene1,3,5-Triethyl benzeneSCHEMBL147391

데이터베이스 식별자

CAS: 102-25-0
PubChem CID: 7602
DTXSID: DTXSID30881228
UNII: 02K328WWZQ
EC Number: 203-017-3
Nikkaji: J110.674K

물성

구조 계산 물성

XLogP: 4.3
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 81.4

실험 및 물리화학적 성질

SpringerMaterials PropertiesDensity

물리화학적 성질

녹는점: -66 °C · -66 °C
끓는 점: 215 °C · 215 °C (lit.)
밀도: 0.862 g/mL · 0.862 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.495(lit.)
인화점: 178 °F · 178 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
수용성: 물에 불용성. 알코올, 에테르에 용해됩니다.
BRN: 2039481 · 2039481
Henry's Law Constant: 1 · 1.0×10-3 mol/(m3Pa) at 25℃, Plyasunov and Shock (2000)
InChI: InChI=1S/C12H18/c1-4-10-7-11(5-2)9-12(6-3)8-10/h7-9H,4-6H2,1-3H3
InChIKey: WJYMPXJVHNDZHD-UHFFFAOYSA-N
SMILES: C1(CC)=CC(CC)=CC(CC)=C1
EPA: 1 · Benzene, 1,3,5-triethyl- (102-25-0)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, 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 46 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationBenzene, 1,3,5-triethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3082 9/PG 3
HS 번호: 2902.90.9000
risk_code: 36/38
hazard_code: Xi
safety_code: 26
포장분류: III
위험 등급: 9
Hazard Classifications: Aquatic Chronic 4Eye Irrit. 2Skin Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1,3,5-triethyl-: ACTIVE

응용 분야

용도1,3,5-Triethylbenzene was used as a supramoelcular template to organize molecular-recognition elements. It was also used to synthesize a series of di- and trinucleating ligands.