4,4'-Bis(1,1-dimethylethyl)-1,1'-biphenyl (HCID 74195)

개요

used in ammonia-free reductions

이름 및 식별자

우선 이름: 4,4'-Bis(1,1-dimethylethyl)-1,1'-biphenyl
IUPAC: 1-tert-butyl-4-(4-tert-butylphenyl)benzene
영어명: 4,4'-Di-tert-butylbiphenyl
분자식: C20H26
분자량: 266.42

이름 및 동의어

1625-91-84,4'-di-tert-Butylbiphenyl4,4'-Di-tert-butyl-1,1'-biphenylDTXSID404819343DA8ZRT2NDTXCID50281684,4'-Bis(1,1-dimethylethyl)-1,1'-biphenylDBB biphenyl cpdDTBB cpdRefChem:506592216-615-41-tert-butyl-4-(4-tert-butylphenyl)benzene

이름 더 보기

4,4′-Bis(1,1-dimethylethyl)-1,1′-biphenyl4,4'-Di-tert-butyLTIMTEC-BB SBB0078124,4'-Di-t-butylbiphenyl, 99+%4,4'-Di-tert-butylbiphenyl>4,4'-Bis(tert-butyl)-biphenyl

4,4'-di-t-Butylbiphenyl1,1'-Biphenyl, 4,4'-bis(1,1-dimethylethyl)-C20H26MFCD000088341-(tert-butyl)-4-[4-(tert-butyl)phenyl]benzeneEINECS 216-615-44,4'-di-tert-butyl biphenyl4,4/'-Di-tert-Butylbiphenyl

데이터베이스 식별자

CAS: 1625-91-8
PubChem CID: 74195
DTXSID: DTXSID4048193
ChEMBL: CHEMBL3187007
UNII: 43DA8ZRT2N
EC Number: 216-615-4
Nikkaji: J80.265D

물성

구조 계산 물성

XLogP: 7.7
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 3
무거운 원자 수: 20
형식 전하: 0
복잡도: 253

물리화학적 성질

녹는점: 126 · 126-130 °C(lit.)
끓는 점: 190 · 190-192 °C13 mm Hg(lit.)
밀도: 0.9463 · 0.9463 (estimate)
굴절률: 1.5928 · 1.5928 (estimate)
인화점: 190 · 190-192°C/13mm
저장 조건: Sealed in dry,Room Temperature
용해도: 0.1 g/mL, · 디옥산: 0.1 g/mL, 투명
물리적 상태: 결정성 분말
색상: 연한 노란색에서 노란색-주황색까지
BRN: 2095855 · 2095855
InChI: InChI=1S/C20H26/c1-19(2,3)17-11-7-15(8-12-17)16-9-13-18(14-10-16)20(4,5)6/h7-14H,1-6H3
InChIKey: CDKCEZNPAYWORX-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(C(C)(C)C)C=C2)=CC=C(C(C)(C)C)C=C1
NIST: 4 · 4,4'-Di-tert-butylbiphenyl(1625-91-8)

화학적 성질

Powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P271, 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

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

화학 및 산업

응용 분야 · 2건

용도It is used in the generation of 1,2-di(lithiomethyl)benzene. It is found to accept electrons from Li metal to give a radical anion which is highly effective in the conversion of alkyl halides to alkyllithiums. 4,4-Di-tert-butylbiphenyl is used in production of homoallylic amine derivatives. It is also used in the preparation of lithium di-tert-butylbiphenylide, a radical anion, superior to sodium or lithium naphthalenides for metalation reactions. Along with lithium, 4,4-Di-tert-butylbiphenyl catalyzes; reaction of chloromethyl ethyl ether and different carbonyl compounds to yield corresponding hydroxyethers and reductive opening of N-phenylazetidine.

일반 설명4,4′-Di-tert-butylbiphenyl along with lithium catalyzes:reaction of chloromethyl ethyl ether and different carbonyl compounds to yield corresponding hydroxyethersreductive opening of N-phenylazetidine