3-(Methoxycarbonyl)-5-nitrophenylboronic Acid (contains varying amounts of Anhydride)

HCID 2773492

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 117342-20-8
표준 SMILES: COC(=O)c1cc(B(O)O)cc([N+](=O)[O-])c1
InChIKey: CDGIRLKQNJXHBJ-UHFFFAOYSA-N
분자식: C8H8BNO6
평균 분자량: 224.97 g/mol
단동위원소 질량: 225.0444671

이름 및 식별자

우선 이름: 3-(Methoxycarbonyl)-5-nitrophenylboronic Acid (contains varying amounts of Anhydride)
IUPAC: (3-methoxycarbonyl-5-nitrophenyl)boronic acid
영어명: 3-Methoxycarbonyl-5-nitrophenylboronic acid
분자식: C8H8BNO6
분자량: 224.96

이름 및 동의어

3-(Methoxycarbonyl)-5-nitrophenylboronic Acid (contains varying amounts of Anhydride)RefChem:495384833-747-3117342-20-83-Methoxycarbonyl-5-nitrophenylboronic acid(3-(Methoxycarbonyl)-5-nitrophenyl)boronic acid3-(methoxycarbonyl)-5-nitrophenylboronic acidMFCD02179469[3-(methoxycarbonyl)-5-nitrophenyl]boronic acid(3-methoxycarbonyl-5-nitrophenyl)boronic acidBenzoic acid, 3-borono-5-nitro-, 1-methyl esterBDBM92723

이름 더 보기

-5-nitrophenyL3-Methoxycarbonyl-5-Nitropheny1-Methyl 3-borono-5-nitrobenzoate3-(Methoxycarbonyl)-5-nitrobenzeneboronic acid3-METHOXYCARBONYL-5-NITROPHENYLBORONIC ACID 98%3-Methoxycarbonyl-5-nitrophenylboronic acid - [M3991]3-METHOXYCARBONYL-5-NITROPHENYLBORONIC ACID ISO 9001：2015 REACH

CS-W014221AB11194METHYL 3-BORONO-5-NITROBENZOATE3-methoxy-carbonyl-5-nitro-phenylboronic acidF11297Z1407840915AMY292003-carbomethoxy-5-nitrophenylboronic acid

데이터베이스 식별자

CAS: 117342-20-8
PubChem CID: 2773492
DTXSID: DTXSID00378493
ChEMBL: CHEMBL88902
EC Number: 833-747-3
Nikkaji: J2.040.763H

물성

구조 계산 물성

극성 표면적: 113 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 278

물리화학적 성질

녹는점: 250 · 250-255°C
끓는 점: 445.9 · 445.9±55.0 °C(Predicted)
밀도: 1.45 · 1.45±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: powder to crystal
산도 계수 (pKa): 6.13 · 6.13±0.10(Predicted)
색상: 흰색에서 거의 흰색

화학적 성질

White or off-white solid

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 (66.7%): 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 3 reports by companies from 3 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (66.7%)

안전 데이터

HS 번호: 29319090
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-36-60-37
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도suzuki reaction

공급사97 곳

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

화합물 노트

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