3-(Methoxymethyl)benzeneboronic acid

HCID 3825855CAS 142273-84-5

기본 정보

표준 SMILES: COCc1cccc(B(O)O)c1
InChIKey: XOSGESMDNPVZKS-UHFFFAOYSA-N
분자식: C8H11BO3
평균 분자량: 165.98 g/mol
단동위원소 질량: 166.0801244

이름 및 식별자

우선 이름: 3-(Methoxymethyl)benzeneboronic acid
IUPAC: [3-(methoxymethyl)phenyl]boronic acid
영어명: 3-Methoxymethylphenylboronic acid
분자식: C8H11BO3
분자량: 165.98

이름 및 동의어

3-(Methoxymethyl)benzeneboronic acidRefChem:495445800-834-2142273-84-53-Methoxymethylphenylboronic acid(3-(Methoxymethyl)phenyl)boronic acid3-(METHOXYMETHYL)PHENYLBORONIC ACID[3-(methoxymethyl)phenyl]boronic AcidMFCD03412069Boronic acid, B-[3-(methoxymethyl)phenyl]-(3-(Methoxymethyl)phenyl)boronic acid;3-Methoxymethylphenylboronic acidSCHEMBL8528

이름 더 보기

AKOS BRN-02123-(Methoxymethyl)Phenylboronic3-Methoxymethylphenylboronicaci3-Methoxymethylphebylboronic acid3-METHOXYMETHYLBENZENEBORONIC ACID3-Methoxymethylphenylboronic acid ,97%

DTXSID10396941XOSGESMDNPVZKS-UHFFFAOYSA-N3-Methoxymethyl benzeneboronic acid(3-(Methoxymethyl)phenyl)boronicacidAKOS004116557PS-9447SY129263{3-[(methyloxy)methyl]phenyl}boronic acid

데이터베이스 식별자

CAS: 142273-84-5
PubChem CID: 3825855
DTXSID: DTXSID10396941
EC Number: 800-834-2

물성

구조 계산 물성

극성 표면적: 49.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 129

물리화학적 성질

끓는 점: 310.3 · 310.3±44.0 °C(Predicted)
밀도: 1.13 · 1.13±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 8.32 · 8.32±0.10(Predicted)
물리적 상태: 고체
색상: 하얀색

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 (100%): 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 2 reports by companies from 1 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.