2-Vinylbenzeneboronic acid

HCID 2773587CAS 15016-42-9

기본 정보

표준 SMILES: C=Cc1ccccc1B(O)O
InChIKey: QHFAXRHEKNHTDH-UHFFFAOYSA-N
분자식: C8H9BO2
평균 분자량: 147.97 g/mol
단동위원소 질량: 148.0695597

이름 및 식별자

우선 이름: 2-Vinylbenzeneboronic acid
IUPAC: (2-ethenylphenyl)boronic acid
영어명: 2-Vinylphenylboronic acid
분자식: C8H9BO2
분자량: 147.97

이름 및 동의어

2-Vinylbenzeneboronic acidB-(2-ETHENYLPHENYL)BORONIC ACIDRefChem:483858681-433-82-Vinylphenylboronic acid15016-42-9(2-vinylphenyl)boronic acid(2-ethenylphenyl)boronic AcidMFCD01074659Boronic acid, (ethenylphenyl)-Boronic acid, B-(2-ethenylphenyl)-STYRENE-2-BORONIC ACID

이름 더 보기

AKOS BRN-01412-BORONOSTYRENERARECHEM AH PB 02102-VinylphenylboronicAci2-Vinylphenylboronic acid - [V5638]

2-vinyl benzene boronic acidAKOS004116554CS-W016344AB08106SY025003V01402-Vinylphenylboronic Acid (contains varying amounts of Anhydride)2-Vinylphenylboronicacid

데이터베이스 식별자

CAS: 15016-42-9
PubChem CID: 2773587
DTXSID: DTXSID80378577
EC Number: 681-433-8、929-220-3
Nikkaji: J1.634.713B

물성

구조 계산 물성

극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 136

물리화학적 성질

녹는점: 105 · 105-107°C
끓는 점: 313.7 · 313.7±35.0 °C(Predicted)
밀도: 1.09 · 1.09±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 8.53 · 8.53±0.58(Predicted)
색상: 흰색에서 거의 흰색
수용성: 물에 불용성.
BRN: 3030430 · 3030430
InChI: 1S/C8H9BO2/c1-2-7-5-3-4-6-8(7)9(10)11/h2-6,10-11H,1H2
InChIKey: QHFAXRHEKNHTDH-UHFFFAOYSA-N
SMILES: OB(O)c1ccccc1C=C

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 (85.7%): 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 7 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.