2-METHYL-5-(N-MORPHOLINYLSULFONYL)페닐보론산

2-Methyl-5-(morpholin-4-ylsulphonyl)benzeneboronic acid

HCID 44119554CAS 871329-74-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1B(O)O
InChIKey
IGDNJOSXZREONA-UHFFFAOYSA-N
분자식
C11H16BNO5S
평균 분자량
285.13 g/mol
단동위원소 질량
285.08422401

이름 및 식별자

우선 이름
2-Methyl-5-(morpholin-4-ylsulphonyl)benzeneboronic acid
IUPAC
(2-methyl-5-morpholin-4-ylsulfonylphenyl)boronic acid
현지명
2-METHYL-5-(N-MORPHOLINYLSULFONYL)페닐보론산
영어명
2-Methyl-5-(N-morpholinylsulfonyl)phenylboronic acid
분자식
C11H16BNO5S
분자량
285.12

이름 및 동의어

2-Methyl-5-(morpholin-4-ylsulphonyl)benzeneboronic acidRefChem:475676641-336-3871329-74-7(2-Methyl-5-(morpholinosulfonyl)phenyl)boronic acid2-Methyl-5-(N-morpholinylsulfonyl)phenylboronic acidMFCD07363761(2-methyl-5-morpholin-4-ylsulfonylphenyl)boronic acid[2-Methyl-5-(morpholine-4-sulfonyl)phenyl]boronic acid(2-Methyl-5-(morpholinosulfonyl)phenyl)boronicacidSCHEMBL3409012SCHEMBL29955875
이름 더 보기
2-METHYL-5-(N-MORPHOLINYLSULFONYL)페닐보론산4-(3-Borono-4-methylbenzenesulfonyl)morpholine4-(3-Borono-4-methylbenzenesulphonyl)morpholine2-methyl-5-(morpholine-4-sulfonyl)phenylboronic acid2-Methyl-5-(morpholin-4-ylsulfonyl)benzeneboronic acid2-METHYL-5-(N-MORPHOLINYLSULPHONAMIDO)BENZENEBORONIC ACID2-Methyl-5-(morpholin-4-ylsulphonyl)benzeneboronicacid98%2-Methyl-5-(4-Morpholinylsulfonyl)benzeneboronic acid, 98%
DTXSID70657287IGDNJOSXZREONA-UHFFFAOYSA-NAKOS015842379AB30708BS-25856CS-0175775F76259(2-methyl-5-morpholinosulfonyl-phenyl)boronic acid

데이터베이스 식별자

CAS
871329-74-7
PubChem CID
44119554
DTXSID
DTXSID70657287
EC Number
641-336-3

물성

구조 계산 물성

극성 표면적
95.5 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
3
무거운 원자 수
19

물리화학적 성질

녹는점
136 · 136-140
끓는 점
522.3 · 522.3±60.0 °C(Predicted)
밀도
1.41 · 1.41±0.1 g/cm3(Predicted)
저장 조건
2 · Sealed in dry,2-8°C
산도 계수 (pKa)
7.67 · 7.67±0.58(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

안전 데이터

HS 번호
2934999090
hazard_code
Xi
위험 참고 사항
Harmful/Irritant/Keep Cold

화학 및 산업

공급사15 곳

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Aladdin Scientific[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]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]

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