3-아미노-2-메틸페닐보론산,피나콜에스테르

2-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

HCID 46738005CAS 882678-96-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1c(N)cccc1B1OC(C)(C)C(C)(C)O1
InChIKey: JMKMGPGFYMANCA-UHFFFAOYSA-N
분자식: C13H20BNO2
평균 분자량: 233.12 g/mol
단동위원소 질량: 233.158709

이름 및 식별자

우선 이름: 2-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
IUPAC: 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
현지명: 3-아미노-2-메틸페닐보론산,피나콜에스테르
영어명: 3-Amino-2-methylphenylboronic acid, pinacol ester
분자식: C13H20BNO2
분자량: 233.11

이름 및 동의어

882678-96-82-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilineDTXSID20674161RefChem:263232DTXCID30624910691-596-73-AMINO-2-METHYLPHENYLBORONIC ACID, PINACOL ESTER3-Amino-2-methylphenylboronic acid pinacol esterMFCD11054038(3-AMINO-2-METHYLPHENYL)BORONIC ACID PINACOL ESTERAM807598[2-Methyl-3-(4,4,5,5-tetraMethyl-[1,3,2]dioxaborolan-2-yl)phenyl]aMine

이름 더 보기

3-아미노-2-메틸페닐보론산,피나콜에스테르187589(3-amino-3-methylphenyl)boronic acid3-AMino-2-Metyl phenyl boronicacid pinacol esterBenzenaMine, 2-Methyl-3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline - [M87710]

SCHEMBL106726SCHEMBL29503402JMKMGPGFYMANCA-UHFFFAOYSA-N2-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenylamineAKOS005259522AS-31281SY023888CS-0008630

데이터베이스 식별자

CAS: 882678-96-8
PubChem CID: 46738005
DTXSID: DTXSID20674161
EC Number: 691-596-7

물성

구조 계산 물성

극성 표면적: 44.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 17
형식 전하: 0
복잡도: 277

물리화학적 성질

끓는 점: 365.3 · 365.3±35.0 °C(Predicted)
밀도: 1.03 · 1.03±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 4.44 · 4.44±0.10(Predicted)
물리적 상태: solid
InChI: InChI=1S/C13H20BNO2/c1-9-10(7-6-8-11(9)15)14-16-12(2,3)13(4,5)17-14/h6-8H,15H2,1-5H3
InChIKey: JMKMGPGFYMANCA-UHFFFAOYSA-N
SMILES: C1(N)=CC=CC(B2OC(C)(C)C(C)(C)O2)=C1C

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 4 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 CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；STOT SE 3 (50%)

안전 데이터

wgk: 3
HS 번호: 2931900090
risk_code: 22
hazard_code: Xn
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

공급사50 곳

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

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

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

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

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

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