Diphenylethynylcarbinol

HCID 92976

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3923-52-2
표준 SMILES: C#CC(O)(c1ccccc1)c1ccccc1
InChIKey: SMCLTAARQYTXLW-UHFFFAOYSA-N
분자식: C15H12O
평균 분자량: 208.25 g/mol
단동위원소 질량: 208.088815

이름 및 식별자

우선 이름: Diphenylethynylcarbinol
IUPAC: 1,1-diphenylprop-2-yn-1-ol
영어명: 1,1-Diphenyl-2-propyn-1-ol
분자식: C15H12O
분자량: 208.26

이름 및 동의어

1,1-Diphenyl-2-propyn-1-ol3923-52-2DiphenylethynylcarbinolEthynyldiphenylmethanol1,1-Diphenylpropargyl alcohol2-Propyn-1-ol, 1,1-diphenyl-3,3-Diphenyl-3-hydroxy-1-propyneBenzenemethanol, .alpha.-ethynyl-.alpha.-phenyl-NSC 113228BRN 05145496LV4Q9O7K4Benzenemethanol, alpha-ethynyl-alpha-phenyl-

이름 더 보기

1,1-Diphenylprop-2-Yn-1-olTIMTEC-BB SBB008737Diphenylethinylcarbinol1,1-diphenyl-2-propyn-1-oDiphenyl ethynyl carbinol1,1-DIPHENYL-2-PROPYN-l-OL1,1-diphenylpropargylalcohol

1,1-diphenyl-1-hydroxy-2-propyne1,1-diphenylpropyn-1-olNSC-1132281,1-diphenyl-2-propyne-1-olDTXSID30216973,3-DIPHENYL-PROPYN-1-OL4-06-00-04940 (Beilstein Handbook Reference).ALPHA.-ETHYNYL-.ALPHA.-PHENYLBENZENEMETHANOL

데이터베이스 식별자

CAS: 3923-52-2
PubChem CID: 92976
DTXSID: DTXSID3021697
ChEMBL: CHEMBL3933877
UNII: 6LV4Q9O7K4
EC Number: 629-508-6
Nikkaji: J2.202K

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 242

물리화학적 성질

녹는점: 47 · 47-49 °C (lit.)
끓는 점: 183 °C/20 · 183 °C/20 mmHg (lit.)
밀도: 1.0459 · 1.0459 (rough estimate)
굴절률: 1.5361 · 1.5361 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 분말 또는 결정
산도 계수 (pKa): 11.58 · 11.58±0.29(Predicted)
색상: 흰색에서 연한 노란색
수용성: 물에 불용성.
BRN: 514549 · 514549
InChI: InChI=1S/C15H12O/c1-2-15(16,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h1,3-12,16H
InChIKey: SMCLTAARQYTXLW-UHFFFAOYSA-N
SMILES: C(O)(C#C)(C1C=CC=CC=1)C1=CC=CC=C1
EPA: 1 · 1,1-Diphenyl-2-propyn-1-ol (3923-52-2)

화학적 성질

Off-white powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 1.3% (1 of 79) of reports.

Warning

H315 (98.7%): 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 79 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (98.7%)

안전 데이터

wgk: 3
rtecs: DA4796050
HS 번호: 29062900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
F 고인화성물질: 10-23
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도1,1-Diphenyl-2-propyn-1-ol is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. It is used in medicine.

일반 설명1,1-Diphenyl-2-propyn-1-ol is an alkynol.