2-Benzyloxyphenol (HCID 80459)

이름 및 식별자

우선 이름: 2-Benzyloxyphenol
IUPAC: 2-phenylmethoxyphenol
영어명: 2-Benzyloxyphenol
분자식: C13H12O2
분자량: 200.23

이름 및 동의어

2-BenzyloxyphenolEINECS 228-461-5DTXSID50211801NSC 37426NSC 72669RefChem:465716DTXCID40134292228-461-52-(Benzyloxy)phenol6272-38-42-phenylmethoxyphenolPhenol, 2-(phenylmethoxy)-

이름 더 보기

2-Benzyloxy2-(Denzyloxy)phenol2-Benzyloxyphenol,98%Phenol, o-(benzyloxy)-2-(Benzyloxy)phenol 96%2-(Benzyloxy)phenol >CATECHOL MONOBENZYL ETHER

MFCD00002186benzyloxyphenol2-(phenylmethoxy)phenolBenzyl o-hydroxyphenyl ether2-Benzyloxy-phenolo-(Benzyloxy)phenolNSC-37426NSC-72669

데이터베이스 식별자

CAS: 6272-38-4
PubChem CID: 80459
DTXSID: DTXSID50211801
ChEMBL: CHEMBL4442258
UNII: TG82JJC4JK
EC Number: 228-461-5
Nikkaji: J211.510G

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 175

물리화학적 성질

녹는점: 35 · 35-40°C
끓는 점: 215 °C · 215 °C / 20mmHg
밀도: 1.143 g/mL · 1.143 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.591(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 액체
산도 계수 (pKa): 9.65 · 9.65±0.30(Predicted)
색상: 무색~담황색
수용성: 알코올, 벤젠, 디에틸에테르에 용해됩니다. 물에 불용성.
InChI: 1S/C13H12O2/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKey: CCZCXFHJMKINPE-UHFFFAOYSA-N
SMILES: Oc1ccccc1OCc2ccccc2
NIST: 2 · Phenol, 2-(phenylmethoxy)-(6272-38-4)

화학적 성질

Clear colorless liquid

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 (97.7%): 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)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

안전 데이터

wgk: 1
HS 번호: 29095000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도2-Benzyloxyphenol is used in the synthesis of 2-(benzyloxy)hydroquinone and also used to prepare sequential polypeptides.It is used as reagent for synthesis of multidentate chelating ligands. It is also used in chemicals, pharmaceutical research and also acts a pharmaceutical intermediate.