1,3,5-트리-트셔리-부틸벤젠

1,3,5-Tri-tert-butylbenzene

HCID 15089CAS 1460-02-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1
InChIKey: GUFMBISUSZUUCB-UHFFFAOYSA-N
분자식: C18H30
평균 분자량: 246.4 g/mol
단동위원소 질량: 246.23475096

이름 및 식별자

우선 이름: 1,3,5-Tri-tert-butylbenzene
IUPAC: 1,3,5-tritert-butylbenzene
현지명: 1,3,5-트리-트셔리-부틸벤젠
영어명: 1,3,5-Tri-tert-butylbenzene
분자식: C18H30
분자량: 246.43

이름 및 동의어

1,3,5-Tri-tert-butylbenzene1460-02-2Benzene, 1,3,5-tris(1,1-dimethylethyl)-1,3,5-Tri-t-butylbenzeneBenzene, 1,3,5-tri-tert-butyl-AI3-28799EINECS 215-952-41,3,5-Tris-(1,1-dimethylethyl)benzeneDTXSID50163255RefChem:72292DTXCID5085746215-952-4

이름 더 보기

1,3,5-트리-트셔리-부틸벤젠1,3,5-트라이-터트-뷰틸벤젠1,3,5-Tri-tert-butyL1,3,5-tert-butylbenzene2,4,6-Tri-tert-butylbenzene1,3,5-Tris-tert-butylbenzene1,3,5-TRI-T-BUTYLBENZENE 95%1,3,5-Tri-tert-butylbenzene,95%1,3,5-Tri-tert-butylbenzene 97%1,3,5-TRI-TERT-BUTYLBENZENE 98+%

GUFMBISUSZUUCB-UHFFFAOYSA-NInChI=1/C18H30/c1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18(7,8)9/h10-12H,1-9H1,3,5-tritert-butylbenzene1,3,5-tris(1,1-dimethylethyl)benzene1,3,5-tris(tert-butyl)benzene1,3,5-Tri-tert-butylbenzene-2-DMFCD000088311,3,5-tri(tertbutyl) benzene

데이터베이스 식별자

CAS: 1460-02-2
PubChem CID: 15089
DTXSID: DTXSID50163255
UNII: Z9HH57K5V2
EC Number: 215-952-4
Nikkaji: J47.069D

물성

구조 계산 물성

XLogP: 6.9
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 3
무거운 원자 수: 18
형식 전하: 0
복잡도: 206

실험 및 물리화학적 성질

Chemical ClassesIndustrial compound

SpringerMaterials PropertiesBoiling point

물리화학적 성질

녹는점: 67 · 67-72 °C (lit.)
끓는 점: 121 · 121-122 °C/12 mmHg (lit.)
밀도: 0.8496 · 0.8496 (estimate)
굴절률: 1.4948 · 1.4948 (estimate)
인화점: 121 · 121-122°C/12mm
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(적게), 에틸아세테이트(약간)에 용해됨
물리적 상태: 고체
색상: 흰색에서 황백색까지
수용성: 물에 불용성.
BRN: 1909579 · 1909579
InChI: InChI=1S/C18H30/c1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18(7,8)9/h10-12H,1-9H3
InChIKey: GUFMBISUSZUUCB-UHFFFAOYSA-N
SMILES: C1(C(C)(C)C)=CC(C(C)(C)C)=CC(C(C)(C)C)=C1
NIST: 1 · Benzene, 1,3,5-tri-tert-butyl-(1460-02-2)

화학적 성질

WHITE TO ALMOST WHITE CRYSTALLINE SOLID

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

유해성 정보

Hazard Classes and Categories · 2건

Acute Tox. 4 (25%)

Acute toxicity (Oral) - Category 4

안전 데이터

wgk: 3
HS 번호: 29029090
safety_code: 22-24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도1,3,5-Tri-tert-butylbenzene is used in the preparation of sandwich complexes of scandium, yttrium and lanthanide ions.

일반 설명The Sandros-Boltzmann (SB) dependency on the reaction free energy of 1,3,5-tri-tert-butylbenzene has been studied.

상·하류 제품 정보

하류 제품

1-Bromo-2,4,6-tri-tert-butylbenzene Benzene, 1,3-bis(1,1-dimethylethyl)-5-iodo-3,5-Di-tert-butylcatechol

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

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