돌아가기
Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 3813634생성일: 2026년 10월 31일

(2-HYDROXYMETHYL-5-NITRO)벤젠보론산탈수물

(2-HYDROXYMETHYL-5-NITRO)벤젠보론산탈수물 · 6-NITRO-3H-2,1-BENZOXABOROL-1-OL · 1-HYDROXY-6-NITRO-2,1-BENZOXABOROLANE · 6-Nitrobenzo[c][1,2]oxaborol-1(3H)-ol · 1-hydroxy-6-nitro-3H-2,1-benzoxaborole · 2-Hydroxymethyl-5-nitrophenylboronic acid · 1,3-Dihydro-1-hydroxy-6-nitro-2,1-benzoxaborole · 2,1-Benzoxaborole, 1,3-dihydro-1-hydroxy-6-nitro-

https://huagongshe.com/ko/chemical/3813634

(2-HYDROXYMETHYL-5-NITRO)벤젠보론산탈수물 분자 구조식

식별자 및 물리적 특성

CAS No.118803-40-0
분자식C7H6BNO4
평균 분자량178.94 g/mol
단동위원소 질량179.0389878 g/mol
SMILESO=[N+]([O-])c1ccc2c(c1)B(O)OC2
InChIKeyGFFKBQCIGADRSN-UHFFFAOYSA-N
PubChem CID3813634
ChEMBLCHEMBL4175131
EC No.692-708-7
DTXSIDDTXSID90396782
현지명(2-HYDROXYMETHYL-5-NITRO)벤젠보론산탈수물

화학 및 물리적 성질

극성 표면적75.3
수소 결합 공여자 수1
수소 결합 수용자 수4
회전 가능 결합 수0
무거운 원자 수13
형식 전하0
복잡도219
녹는점178-181°C
끓는 점330.6±52.0 °C(Predicted)
밀도1.43±0.1 g/cm3(Predicted)
저장 조건2-8°C
용해도아세토니트릴(약간), DMSO(약간)에 용해됨
pKa(산도 계수)5.90±0.20(Predicted)
물리적 상태고체
색상라이트 베이지
InChIInChI=1S/C7H6BNO4/c10-8-7-3-6(9(11)12)2-1-5(7)4-13-8/h1-3,10H,4H2
InChIKeyGFFKBQCIGADRSN-UHFFFAOYSA-N
SMILESB1(O)C2=CC([N+]([O-])=O)=CC=C2CO1

안전 및 규제

GHS 분류WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.
Hazard Classes and CategoriesAcute Tox. 4 (50%)
관세 코드2931900090

용도

용도

2-Hydroxymethyl-5-nitrophenylboronic Acid, dehydrated can be used as reactant/reagent for imprinted polymers as protecting groups for regioselective modification of polyfunctional substrates.