CAS 201733-56-4 Bis(neopentyl glycolato)diboron (HCID 2734316)

기본 정보

CAS: 201733-56-4
표준 SMILES: CC1(C)COB(B2OCC(C)(C)CO2)OC1
InChIKey: MDNDJMCSXOXBFZ-UHFFFAOYSA-N
분자식: C10H20B2O4
평균 분자량: 225.9 g/mol
단동위원소 질량: 226.15476992

이름 및 식별자

우선 이름: Bis(neopentyl glycolato)diboron
IUPAC: 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane
영어명: Bis(neopentyl glycolato)diboron
분자식: C10H20B2O4
분자량: 225.89

이름 및 동의어

Bis(neopentyl glycolato)diboron5,5,5',5'-tetramethyl-2,2'-bi(1,3,2-dioxaborinane)DTXSID70370207RefChem:569197DTXCID60321243639-407-9201733-56-4Bis(neopentylglycolato)diboron2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane2,2'-Bi-1,3,2-dioxaborinane, 5,5,5',5'-tetramethyl-MFCD020930625,5,5',5'-Tetramethyl-2,2'-bi-1,3,2-dioxaborinane

이름 더 보기

Neopentyl glycol diborateBis(neopentyl glycolato)diboron,98%Bis(neopentyL-2-yl)-9H-CarbazoleBis(neopentanediolato)diboronBIS(NEOPENTYLGLYCOLATO)DIBORNBis(neopentylglycolate)diboron

Bis(neopentylglycolato) diboronC10H20B2O4TU2GUX2HET5,5,5',5'-Tetramethyl-2,2'-bi-1,3,2-dioxaborinane; Bis(neopentanediolato)diboron;UNII-TU2GUX2HETEC 639-407-9SCHEMBL449902bis(neopentylglycolato)-diboron

데이터베이스 식별자

CAS: 201733-56-4
PubChem CID: 2734316
DTXSID: DTXSID70370207
UNII: TU2GUX2HET
EC Number: 639-407-9
Nikkaji: J1.512.193I

물성

구조 계산 물성

극성 표면적: 36.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 211

물리화학적 성질

녹는점: 180.5 · 180.5-184.5 °C(lit.)
끓는 점: 214.3 · 214.3±7.0 °C(Predicted)
밀도: 0.99 · 0.99±0.1 g/cm3(Predicted)
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 클로로포름(적게), 에틸아세테이트(약간)에 용해됨
물리적 상태: 액체
색상: 무색의
BRN: 8839038 · 8839038
InChI: InChI=1S/C10H20B2O4/c1-9(2)5-13-11(14-6-9)12-15-7-10(3,4)8-16-12/h5-8H2,1-4H3
InChIKey: MDNDJMCSXOXBFZ-UHFFFAOYSA-N
SMILES: O1CC(C)(C)COB1B1OCC(C)(C)CO1

화학적 성질

White to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 15.4% (2 of 13) of reports.

Warning

H315 (76.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 13 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.