CAS 34145-05-6 2,5-Dichlorobenzylic alcohol (HCID 118604)

기본 정보

CAS: 34145-05-6
표준 SMILES: OCc1cc(Cl)ccc1Cl
InChIKey: LCEIGNVIDJNUGF-UHFFFAOYSA-N
분자식: C7H6Cl2O
평균 분자량: 177.02 g/mol
단동위원소 질량: 175.97957017

이름 및 식별자

우선 이름: 2,5-Dichlorobenzylic alcohol
IUPAC: (2,5-dichlorophenyl)methanol
영어명: 2,5-DICHLOROBENZYL ALCOHOL
분자식: C7H6Cl2O
분자량: 177.02

이름 및 동의어

Benzenemethanol, 2,5-dichloro-2,5-Dichlorobenzylic alcoholEINECS 251-850-6DTXSID60187745RefChem:444337DTXCID20110236251-850-6(2,5-dichlorophenyl)methanol34145-05-62,5-Dichlorobenzyl alcoholMFCD000046072,5-Dichlorobenzenemethanol

이름 더 보기

RARECHEM AL BD 0427Miconazole impurity 1Miconazole Impurity 9Miconazole Impurity 152,5-Dichlorobenzylalcohol,99%2,5-DICHLOROBENZYL ALCOHOL 99%

2,5-dichlorobenzylalcohol2.5-Dichlorobenzyl alcohol2,5-dichloro-benzyl alcoholSCHEMBL92968SCHEMBL1047523SCHEMBL8882022CHEMBL2323840SCHEMBL16961854

데이터베이스 식별자

CAS: 34145-05-6
PubChem CID: 118604
DTXSID: DTXSID60187745
ChEMBL: CHEMBL2323840
UNII: QG5983X4A6
EC Number: 251-850-6
Nikkaji: J3.807E

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 108

물리화학적 성질

녹는점: 79 · 79-80 °C (lit.)
끓는 점: 266 ℃ · 266℃
밀도: 1.392 · 1.392
굴절률: 1.557 · 1.5570 (estimate)
인화점: 114 ℃ · 114℃
저장 조건: 2 · 2-8°C
물리적 상태: powder
산도 계수 (pKa): 13.69 · 13.69±0.10(Predicted)
BRN: 3240770 · 3240770
InChI: InChI=1S/C7H6Cl2O/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4H2
InChIKey: LCEIGNVIDJNUGF-UHFFFAOYSA-N
SMILES: C1C(CO)=C(Cl)C=CC=1Cl

화학적 성질

WHITE FINE CRYSTALLINE 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)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Benzenemethanol, 2,5-dichloro-

Benzenemethanol, 2,5-dichloro-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
HS 번호: 2906290090
risk_code: 36/37/38
safety_code: 24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

일반 설명2,5-Dichlorobenzyl alcohol participates in [Ru(acac)2(CH3CN)2]PF6 (acac = acetylacetone) catalyzed oxidation of alcohols to aldehydes or ketones using H5IO6 as oxidant.