4-에틸벤질알코올97

(4-Ethynylphenyl)methanol

HCID 11170993CAS 10602-04-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C#Cc1ccc(CO)cc1
InChIKey: QCZORVSTESPHCO-UHFFFAOYSA-N
분자식: C9H8O
평균 분자량: 132.16 g/mol
단동위원소 질량: 132.05751488

이름 및 식별자

우선 이름: (4-Ethynylphenyl)methanol
IUPAC: (4-ethynylphenyl)methanol
현지명: 4-에틸벤질알코올97
영어명: 4-Ethynylbenzyl alcohol 97
분자식: C9H8O
분자량: 132.16

이름 및 동의어

(4-ethynylphenyl)methanolRefChem:402800627-942-010602-04-74-Ethynylbenzyl alcohol4-ethynyl-benzenemethanolMFCD056642054-ethynylbenzylalcohol(4-ethynylphenyl)-methanol(4-ethynyl-phenyl)-methanolSCHEMBL5165124-Ethynylbenzyl alcohol, 97%

이름 더 보기

4-에틸벤질알코올97Benzenemethanol,4-ethynyl-4-Ethynylbenzyl alcohol 97%(4-ethynylphenyl)methanol, 97%mim(4-Ethynylphenyl)methanol - [E51546]

H10642Z1255489573Benzenemethanol, 4-ethynyl-4-hydroxymethylphenylacetylene1-Ethynyl-4-(hydroxymethyl)benzene4-ETHYNYLBENZYL ALCOHOL 97BCP069534-ethinyl benzylalcohol

데이터베이스 식별자

CAS: 10602-04-7
PubChem CID: 11170993
DTXSID: DTXSID70457502
EC Number: 627-942-0
Nikkaji: J1.621.897I

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 134

물리화학적 성질

녹는점: 40 · 40-44 °C(lit.)
끓는 점: 239.6 · 239.6±23.0℃ (760 Torr)
밀도: 1.08 · 1.08±0.1 g/cm3 (20 ºC 760 Torr)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 14.13 · 14.13±0.10(Predicted)
색상: White to Orange to Green
InChI: InChI=1S/C9H8O/c1-2-8-3-5-9(7-10)6-4-8/h1,3-6,10H,7H2
InChIKey: QCZORVSTESPHCO-UHFFFAOYSA-N
SMILES: C1(CO)=CC=C(C#C)C=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 2
HS 번호: 2906290090
risk_code: 22-36-42/43
hazard_code: Xn
safety_code: 26-36
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도4-Ethynylbenzyl alcohol can be used in the synthesis of platinum-acetylide dendrimers, rotaxanes and arylacetylenes.It was employed in the preparation of arylalkyne-tagged sugars for the photoinduced glycosylation of cysteine-containing peptides.It can also act as a precursor to synthesize fluorescent probes via Cu(I)-catalyzed azide-alkyne cycloaddition (CuAAC) click reaction.

상·하류 제품 정보

상류 원료

공급사50 곳

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武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

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