티아나프텐-2-붕소산

티아나프텐-2-붕소산 · 2-벤조티에닐보론산 · Benzo · BENZO[B]THIOPHEN-2-YLBORONIC ACID · BENZOTHIOPHENE-2-BORONIC ACID · BENZO[B]THIOPHENE-2-BORONIC ACID · 1-BENZOTHIOPHENE-2-BORONIC ACID · 2-BENZOTHIENYLBORONIC ACID

https://huagongshe.com/ko/chemical/2359

식별자 및 물리적 특성

CAS No.	98437-23-1
분자식	C8H7BO2S
평균 분자량	178.02 g/mol
단동위원소 질량	178.0259808 g/mol
SMILES	OB(O)c1cc2ccccc2s1
InChIKey	YNCYPMUJDDXIRH-UHFFFAOYSA-N
PubChem CID	2359
ChEMBL	CHEMBL34964
EC No.	671-850-3
DTXSID	DTXSID80274363
현지명	티아나프텐-2-붕소산

화학 및 물리적 성질

극성 표면적	68.7
수소 결합 공여자 수	2
수소 결합 수용자 수	3
회전 가능 결합 수	1
무거운 원자 수	12
형식 전하	0
복잡도	165
녹는점	254-256 °C
끓는 점	390.2±34.0 °C(Predicted)
밀도	1.35±0.1 g/cm3(Predicted)
저장 조건	Inert atmosphere,Store in freezer, under -20°C
용해도	soluble in Tetrahydrofuran
물리적 상태	가루
pKa(산도 계수)	6.99±0.30(Predicted)
색상	흰색에서 황백색까지
용해도	물에 불용성.
BRN	1637924
InChI	InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H
InChIKey	YNCYPMUJDDXIRH-UHFFFAOYSA-N
SMILES	B(C1SC2=CC=CC=C2C=1)(O)O

화학적 성질

white tooff-whitepowder

안전 및 규제

GHS 분류	WarningH302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (91.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (91.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (83.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 12 reports by companies from 8 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.
Hazard Classes and Categories	Acute Tox. 4 (16.7%)Skin Irrit. 2 (91.7%)Eye Irrit. 2A (91.7%)STOT SE 3 (83.3%)
수질 위해 등급(WGK)	3
관세 코드	29349990
위험 문구(R)	36/37/38-20/21/22
위험 표시	Xi,Xn
안전 문구(S)	37/39-26-36
위험 등급	IRRITANTAcute Tox. 4 OralAquatic Chronic 3
저장 분류	11 - Combustible Solids

용도

suzuki reaction