4-(PYRIDIN-2-YL)아미노카보닐페닐보론산

4-(Pyridin-2-yl)aminocarbonylphenylboronic acid

HCID 44119539

기본 정보

CAS
850568-25-1
표준 SMILES
O=C(Nc1ccccn1)c1ccc(B(O)O)cc1
InChIKey
LEAZDTWQWNXKJM-UHFFFAOYSA-N
분자식
C12H11BN2O3
평균 분자량
242.04 g/mol
단동위원소 질량
242.0862724

이름 및 식별자

우선 이름
4-(Pyridin-2-yl)aminocarbonylphenylboronic acid
IUPAC
[4-(pyridin-2-ylcarbamoyl)phenyl]boronic acid
현지명
4-(PYRIDIN-2-YL)아미노카보닐페닐보론산
영어명
4-(Pyridin-2-yl)aminocarbonylphenylboronic acid
분자식
C12H11BN2O3
분자량
242.04

이름 및 동의어

4-(Pyridin-2-yl)aminocarbonylphenylboronic acidRefChem:516816689-936-4850568-25-1(4-(PYRIDIN-2-YLCARBAMOYL)PHENYL)BORONIC ACID4-(Pyridin-2-yl-aminocarbonyl)benzeneboronic acid[4-(pyridin-2-ylcarbamoyl)phenyl]boronic acidMFCD06659876C12H11BN2O3[4-[(Pyridin-2-yl)carbamoyl]phenyl]boronic acid{4-[(Pyridin-2-yl)carbamoyl]phenyl}boronic acid[4-(2-pyridylcarbamoyl)phenyl]boronic acid
이름 더 보기
4-(PYRIDIN-2-YL)아미노카보닐페닐보론산EOS-61700N-2-PYRIDINYL 4-BORONOBENZAMIDE4-(PYRIDIN-2-YL)AMINOCARBONYLPHENYLBORONIC4-(pyridin-2-ylcarbamoyl)pheryl]boronic acid[(Pyridin-2-yl)carbamoyl]phenyl]boronic acid4-[(2-Pyridinylamino)carbonyl]phenyl]boronic4-[(Pyridin-2-yl)formamido]phenylboronic Acid4-(Pyridin-2-yl)aminocarboylphenylborinic acid
PCV3W6S8FG4-(2-PYRIDYLCARBAMOYL)BENZENEBORONIC ACIDSCHEMBL12419393Boronic acid, B-[4-[(2-pyridinylamino)carbonyl]phenyl]-DTXSID00657275LEAZDTWQWNXKJM-UHFFFAOYSA-NAKOS015854354AB26533

데이터베이스 식별자

CAS
850568-25-1
PubChem CID
44119539
DTXSID
DTXSID00657275
UNII
PCV3W6S8FG
EC Number
689-936-4

물성

구조 계산 물성

극성 표면적
82.5 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
4
회전 가능 결합 수
3
무거운 원자 수
18

물리화학적 성질

녹는점
124 · 124-128
밀도
1.33 · 1.33±0.1 g/cm3(Predicted)
저장 조건
2 · Inert atmosphere,2-8°C
산도 계수 (pKa)
8.1 · 8.10±0.16(Predicted)
InChI
InChI=1S/C12H11BN2O3/c16-12(15-11-3-1-2-8-14-11)9-4-6-10(7-5-9)13(17)18/h1-8,17-18H,(H,14,15,16)
InChIKey
LEAZDTWQWNXKJM-UHFFFAOYSA-N

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.

Warning

H315 (71.4%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (71.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (71.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H341 (14.3%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, 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 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 7 reports by companies.;There are 2 notifications provided by 6 of 7 reports by companies with hazard statement code(s).;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 CategoriesMuta. 2 (14.3%)

안전 데이터

HS 번호
2933399990
hazard_code
Xi
위험 참고 사항
Irritant/Keep Cold

화학 및 산업

응용 분야

용도4-(Pyridin-2-yl)aminocarbonylphenylboronic acid is a useful research chemical.

공급사100 곳

杭州创引化工科技有限公司0571-87086220 13516718938 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海毕合生物化学技术有限公司13816464724 · [email protected]

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1건

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