4-(Carbamoylamino)benzeneboronic acid, pinacol ester

HCID 16727440

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 877134-77-5
표준 SMILES: CC1(C)OB(c2ccc(NC(N)=O)cc2)OC1(C)C
InChIKey: BVWCMMVUJQHJJE-UHFFFAOYSA-N
분자식: C13H19BN2O3
평균 분자량: 262.11 g/mol
단동위원소 질량: 262.1488726

이름 및 식별자

우선 이름: 4-(Carbamoylamino)benzeneboronic acid, pinacol ester
IUPAC: [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
영어명: 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
분자식: C13H19BN2O3
분자량: 262.11

이름 및 동의어

4-(Carbamoylamino)benzeneboronic acid, pinacol esterRefChem:515480685-566-2877134-77-51-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea4-(Ureido)phenylboronic acid, pinacol ester4-Ureidophenylboronic Acid Pinacol Ester[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]UREAMFCD06795683N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea

이름 더 보기

4-(Carbamoylamino)benzeneboronic acid4-Ureidobenzeneboronic acid pinacol ester, 98%4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenylurea4-(Carbamoylamino)benzeneboronicacid,pinacolester98%4-(Carbamoylamino)benzeneboronic acid, pinacol ester 98%4-(N-AMINOCARBONYL)AMINOPHENYLBORONIC ACID, PINACOL ESTER

SCHEMBL251814DTXSID70587398BVWCMMVUJQHJJE-UHFFFAOYSA-NSTR09939AC7052AKOS015999901AB29247NCGC00662909-01

데이터베이스 식별자

CAS: 877134-77-5
PubChem CID: 16727440
DTXSID: DTXSID70587398
EC Number: 685-566-2
Nikkaji: J3.190.575C

물성

구조 계산 물성

극성 표면적: 73.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 19
형식 전하: 0
복잡도: 336

물리화학적 성질

녹는점: 124 · 124-128℃
끓는 점: 379.7 · 379.7±25.0 °C(Predicted)
밀도: 1.14 · 1.14±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 14.49 · 14.49±0.50(Predicted)
물리적 상태: 고체
색상: 회색

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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 2 reports by companies from 2 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 (50%)；Skin Irrit. 2 (50%)；Eye Irrit. 2 (50%)；STOT SE 3 (50%)

안전 데이터

HS 번호: 2931900090
risk_code: 22
hazard_code: Xi,Xn
위험 참고 사항: Irritant

화학 및 산업

공급사23 곳

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

화합물 노트

불러오는 중…