3,5-비스(tert-부틸)벤즈알데히드

3,5-Bis(tert-butyl)benzaldehyde

HCID 1268253CAS 17610-00-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)c1cc(C=O)cc(C(C)(C)C)c1
InChIKey: BRUITYMDHWNCIG-UHFFFAOYSA-N
분자식: C15H22O
평균 분자량: 218.33 g/mol
단동위원소 질량: 218.16706532

이름 및 식별자

우선 이름: 3,5-Bis(tert-butyl)benzaldehyde
IUPAC: 3,5-ditert-butylbenzaldehyde
현지명: 3,5-비스(tert-부틸)벤즈알데히드
영어명: 3,5-Bis(tert-butyl)benzaldehyde
분자식: C15H22O
분자량: 218.33

이름 및 동의어

3,5-Bis(tert-butyl)benzaldehydeRefChem:486539639-397-63,5-Di-tert-butylbenzaldehyde17610-00-33,5-ditert-butylbenzaldehydeBenzaldehyde, 3,5-bis(1,1-dimethylethyl)-MFCD000262983,5-Di-tert-butyl-benzaldehyde3,5-DI-T-BUTYLBENZALDEHYDE3 pound not5-di-tert-butylbenzatdehyle3,5-di-tertbutylbenzaldehyde

이름 더 보기

3,5-비스(tert-부틸)벤즈알데히드RARECHEM AQ A2 00013,5-BIS(TERT-BUTYL)BENZLDEHYDE3,5-Di-tert-butylbenzaldehyde>3,5-Di-tert-butylbenzaldehyde 97%3,5-BIS(TERT-BUTYL)BENZALDEHYDE 97%3,5-Bis(tert-butyl)-1-formylbenzene3,5-Bis(tert-butyl)benzaldehyde,97%

SCHEMBL1897883,5-di-tert butylbenzaldehyde3,5-Di-tert-butylbenzaldehyle3,5-di(t-butyl)-benzaldehydeorb1685283SCHEMBL15356073,5-di-tert -butylbenzaldehydeDTXSID80361484

데이터베이스 식별자

CAS: 17610-00-3
PubChem CID: 1268253
DTXSID: DTXSID80361484
ChEBI: CHEBI:231570
EC Number: 639-397-6
Nikkaji: J645.163B

물성

구조 계산 물성

XLogP: 4.7
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 219

물리화학적 성질

녹는점: 85 · 85-89 °C(lit.)
끓는 점: 132 °C/5mmHg · 132°C/5mmHg(lit.)
밀도: 0.9445 · 0.9445 (rough estimate)
굴절률: 1.541 · 1.5410 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C15H22O/c1-14(2,3)12-7-11(10-16)8-13(9-12)15(4,5)6/h7-10H,1-6H3
InChIKey: BRUITYMDHWNCIG-UHFFFAOYSA-N
SMILES: C(=O)C1=CC(C(C)(C)C)=CC(C(C)(C)C)=C1

화학적 성질

off-white powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
HS 번호: 29122990
safety_code: 22-24/25
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도3,5-Di-tert-butylbenzaldehyde may be used in the synthesis of the following:5-p-pyridyl-15-(3,5-di-tert-butylphenyl)porphyrin via condensation reaction with 4-pyridinecarboxaldehyde and 2,2′-dipyrrylmethane3,5-di-tert-butylphenyl-dipyrromethane via reaction with pyrrole in the presence of trifluoroacetic acid3,5-di-tert-butyl-2-nitrobenzaldehyde via nitration reaction