4-비페닐메탄올

(1,1'-Biphenyl)-4-methanol

HCID 19186CAS 3597-91-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: OCc1ccc(-c2ccccc2)cc1
InChIKey: AXCHZLOJGKSWLV-UHFFFAOYSA-N
분자식: C13H12O
평균 분자량: 184.23 g/mol
단동위원소 질량: 184.088815

개요

structure given in first source

이름 및 식별자

우선 이름: (1,1'-Biphenyl)-4-methanol
IUPAC: (4-phenylphenyl)methanol
현지명: 4-비페닐메탄올
영어명: 4-Biphenylmethanol
분자식: C13H12O
분자량: 184.23

이름 및 동의어

4-BIPHENYLMETHANOL3597-91-94-Hydroxymethylbiphenyl4-(Hydroxymethyl)biphenyl(1,1'-Biphenyl)-4-methanol[1,1'-Biphenyl]-4-methanolGN8BN8XCF5NSC-84169NSC-233860DTXSID5075234RefChem:518562DTXCID3039119

이름 더 보기

4-비페닐메탄올4-BPMANSC 2338604-DIPHENYLMETHANOLRARECHEM AL BD 01064-BIPHENYLYL-METHANOL

222-745-2[1,1'-Biphenyl]-4-ylmethanol(4-phenylphenyl)methanolbiphenyl-4-ylmethanol4-Phenylbenzyl alcoholBiphenyl-4-methanolp-Phenylbenzyl alcohol4HMB

데이터베이스 식별자

CAS: 3597-91-9
PubChem CID: 19186
DTXSID: DTXSID5075234
ChEMBL: CHEMBL332299
UNII: GN8BN8XCF5
EC Number: 222-745-2
Nikkaji: J70.034G

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 153

물리화학적 성질

녹는점: 96 · 96-100 °C (lit.)
끓는 점: 184 °C · 184 °C / 11mmHg
밀도: 1.012 · 1.0120 (rough estimate)
굴절률: 1.5928 · 1.5928 (estimate)
저장 조건: Inert atmosphere,Room Temperature
용해도: 25 mg/mL · 아세톤: 가용성25mg/mL
산도 계수 (pKa): 14.26 · 14.26±0.10(Predicted)
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
BRN: 1937761 · 1937761
InChI: InChI=1S/C13H12O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,14H,10H2
InChIKey: AXCHZLOJGKSWLV-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2)=CC=C(CO)C=C1
EPA: 4 · 4-Biphenylmethanol (3597-91-9)

화학적 성질

white to beige powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 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 (50%)

안전 데이터

wgk: 3
rtecs: DV5425000
HS 번호: 29062900
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 22-24/25-36-26
위험 등급: IRRITANT
기존화학 물질: 2017-3-7209
스토리지 클래스: 11 - Combustible Solids
함량 및 규제정보: 물질구분: 유독물질; 혼합물(제품)함량정보: 4-비페닐메탄올 및 이를 25% 이상 함유한 혼합물
유해화학물질 필터링: 2019-1-881

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.

Chemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.

응용 분야

용도Biphenyl-4-methanol was used as reagent for the rapid quantitative determination of lithium alkyls.

일반 설명Biphenyl-4-methanol acts as monofunctional alcohol initiator during the ring-opening polymerization of trimethylene carbonate (TMC) catalyzed by CH3SO3H and copolymerisation of ε-caprolactone and TMC.