5-메틸-1H-인다졸-4-일-4-보론산

(5-methyl-1H-indazol-4-yl)boronic acid

HCID 44119475

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1245816-10-7
표준 SMILES: Cc1ccc2[nH]ncc2c1B(O)O
InChIKey: HRURFOBSNYPWDM-UHFFFAOYSA-N
분자식: C8H9BN2O2
평균 분자량: 175.98 g/mol
단동위원소 질량: 176.0757077

이름 및 식별자

우선 이름: (5-methyl-1H-indazol-4-yl)boronic acid
IUPAC: (5-methyl-1H-indazol-4-yl)boronic acid
현지명: 5-메틸-1H-인다졸-4-일-4-보론산
영어명: 5-methyl-1H-indazol-4-yl-4-boronic acid
분자식: C8H9BN2O2
분자량: 175.98

이름 및 동의어

1245816-10-7(5-methyl-1H-indazol-4-yl)boronic acidDTXSID40657254RefChem:404105DTXCID40608004813-445-85-Methyl-1H-indazole-4-boronic acid5-Methyl-1H-indazol-4-yl-4-boronic acidMFCD10001490Boronic acid, B-(5-methyl-1H-indazol-4-yl)-5-methyl-1h-indazol-4-yl boronic acidAKOS005258836

이름 더 보기

5-메틸-1H-인다졸-4-일-4-보론산5-Methyl-1H-indazole-4-boronic acid 97%B-(5-Methyl-1H-indazol-4-yl)boronic acid5-Methyl-1H-indazole-4-boronic acid - [M5701]5-Methyl-1H-indazole-4-boronic acid, CAS 1245816-10-7(5-methyl-1H-indazol-4-yl)boronic acid(contains varying amounts of Anhydride)

CS-W019606PB47865(5-methyl-1H-indazol-4-yl)boronicacid4-Borono-5-methyl-1H-indazoleBCP23498orb3022929SCHEMBL9939628SCHEMBL29517434

데이터베이스 식별자

CAS: 1245816-10-7
PubChem CID: 44119475
DTXSID: DTXSID40657254
EC Number: 813-445-8

물성

구조 계산 물성

극성 표면적: 69.1 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 191

물리화학적 성질

끓는 점: 457 · 457.0±47.0 °C(Predicted)
밀도: 1.35 · 1.35±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 8.27 · 8.27±0.30(Predicted)
InChI: InChI=1S/C8H9BN2O2/c1-5-2-3-7-6(4-10-11-7)8(5)9(12)13/h2-4,12-13H,1H3,(H,10,11)
InChIKey: HRURFOBSNYPWDM-UHFFFAOYSA-N
SMILES: B(C1=C(C)C=CC2=C1C=NN2)(O)O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호: 2933998090

화학 및 산업

공급사92 곳

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

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

河南赢创生物科技有限公司16650615803 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

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