CAS 380430-57-9 (4-Methanesulfonamidophenyl)boronic acid (HCID 2773537)

이름 및 식별자

우선 이름: (4-Methanesulfonamidophenyl)boronic acid
IUPAC: [4-(methanesulfonamido)phenyl]boronic acid
영어명: 4-(METHYLSULFONYLAMINO)PHENYLBORONIC ACID
분자식: C7H10BNO4S
분자량: 215.03

이름 및 동의어

(4-methanesulfonamidophenyl)boronic Acid(4-(METHYLSULFONAMIDO)PHENYL)BORONIC ACID[4-(Methylsulfonamido)phenyl]boronic acidRefChem:402908687-024-0380430-57-94-(Methylsulfonylamino)phenylboronic acid4-METHYLSULFONYLAMINOPHENYLBORONIC ACID[4-(methanesulfonamido)phenyl]boronic acid4-(Methylsulfonamido)phenylboronic Acid4-Methanesulfonylaminophenylboronic acid4-(Methanesulfonylamino)phenylboronic acid

이름 더 보기

AKOS BRN-0584N-4-METHANESULFONAMIDEPHENYLBORONIC ACID4-N-(METHANESULFONAMIDE)PHENYLBORONIC ACID(4-METHYLSULFONYL)AMINOBENZENEBORONIC ACIDN-4-MethanesulfonaMidephenylboronic acid >=95%4-(Methylsulphonyl)aminobenzeneboronic acid 95%

MFCD021794734-[(Methylsulphonyl)amino]benzeneboronic acid4-(Methylsulfonylamino)phenylboronicacidBORONIC ACID, [4-[(METHYLSULFONYL)AMINO]PHENYL]-{4-[(methylsulfonyl)amino]phenyl}boronic acidSCHEMBL1316264-(Mesylamino)phenylboronic acidDTXSID20378536

데이터베이스 식별자

CAS: 380430-57-9
PubChem CID: 2773537
DTXSID: DTXSID20378536
EC Number: 687-024-0

물성

구조 계산 물성

극성 표면적: 95 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 266

물리화학적 성질

녹는점: 148 · 148-154°C
끓는 점: 421.8 · 421.8±55.0 °C(Predicted)
밀도: 1.42 · 1.42±0.1 g/cm3(Predicted)
저장 조건: 2 · Inert atmosphere,2-8°C
물리적 상태: 고체
산도 계수 (pKa): 8.42 · 8.42±0.10(Predicted)
색상: 베이지색
InChI: 1S/C7H10BNO4S/c1-14(12,13)9-7-4-2-6(3-5-7)8(10)11/h2-5,9-11H,1H3
InChIKey: NDVJJEADFLTFCD-UHFFFAOYSA-N
SMILES: CS(=O)(=O)Nc1ccc(cc1)B(O)O

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (88.9%): 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 (100%): 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 45 reports by companies from 5 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 (88.9%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 1
HS 번호: 2931900090
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Reactant for preparation of:• ;Potent and selective inhibitors of IKK-β1• ;Inhibitors for treatment of osteoporosis2• ;Inhibitors of human farnesyl pyrophosphate synthase3• ;Suzuki-type Pd(0) coupling reactions in the synthesis of 2-arylpurines as Cdk inhibitors4