CAS 6165-68-0 2-Thiopheneboronic acid (HCID 2733960)

이름 및 식별자

우선 이름: 2-Thiopheneboronic acid
IUPAC: thiophen-2-ylboronic acid
영어명: 2-Thiopheneboronic acid
분자식: C4H5BO2S
분자량: 127.96

이름 및 동의어

2-Thiopheneboronic acid2-Thienylboronic acidRefChem:483759612-186-6Thiophene-2-boronic acid6165-68-0thiophen-2-ylboronic acidMFCD00151850Thienylboronic acidthiophen-2-ylboranediol(thiophen-2-yl)boronic acidthiophene2-boronic acid

이름 더 보기

TIMTEC-BB SBB0042432-thiophenylboric acidAKOS BRN-0022BUTTPARK 98\04-232-BoronothiopheneThienylboronic aciRARECHEM AH PB 0243

2-thiophen boronic acid2-thiophenylboronic acidthiophen-2-boronic acid2-thiophene boronic acidthiophene 2-boronic acidthiophenyl 2-boronic acidthiophen-2-yl-boronic acidthiophen-2-yl-2-boronic acid

데이터베이스 식별자

CAS: 6165-68-0
PubChem CID: 2733960
DTXSID: DTXSID60370059
ChEMBL: CHEMBL141272
EC Number: 612-186-6
Nikkaji: J633.709K

물성

구조 계산 물성

극성 표면적: 68.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 78

물리화학적 성질

녹는점: 138 · 138-140 °C (lit.)
끓는 점: 287.9 · 287.9±32.0 °C(Predicted)
밀도: 1.32 · 1.32±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 메탄올에 용해됩니다.
산도 계수 (pKa): 8.41 · 8.41±0.53(Predicted)
물리적 상태: 가루
색상: 미색부터 베이지까지
BRN: 112375 · 112375
안정성: 냉각
InChI: InChI=1S/C4H5BO2S/c6-5(7)4-2-1-3-8-4/h1-3,6-7H
InChIKey: ARYHTUPFQTUBBG-UHFFFAOYSA-N
SMILES: C1(B(O)O)SC=CC=1

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (84.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory 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 51 reports by companies from 11 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 CategoriesAcute Tox. 4 (84.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98%)

안전 데이터

wgk: 3
HS 번호: 29339900
risk_code: 22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36/37-37/39-36
위험 등급: IRRITANT, IRRITANT-HARMFUL, KEEP COLD
위험 참고 사항: Harmful/Irritant/Keep Cold
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도2-Thiopheneboronic acid can be used as reagent used for Palladium-catalyzed Suzuki-Miyaura cross-couplings; Alkylation, boration, coupling reaction, Suzuki coupling, and halogenation of fluorenyl bromide ;Chain-growth catalyst transfer polycondensation of conjugated alternating copolymer; Ferric perchlorate-promoted reaction of fullerene to give fullerenyl boronic esters.

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

화합물 노트

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2-Thiopheneboronic acid

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