CAS 957066-11-4 6-Chloro-1-methyl-1H-indole-2-boronic acid (HCID 44119594)

기본 정보

CAS: 957066-11-4
표준 SMILES: Cn1c(B(O)O)cc2ccc(Cl)cc21
InChIKey: HAKQDXBWDPGHDD-UHFFFAOYSA-N
분자식: C9H9BClNO2
평균 분자량: 209.44 g/mol
단동위원소 질량: 209.04148661

이름 및 식별자

우선 이름: 6-Chloro-1-methyl-1H-indole-2-boronic acid
IUPAC: (6-chloro-1-methylindol-2-yl)boronic acid
영어명: 6-Chloro-1-methyl-1H-indol-2-ylboronic acid
분자식: C9H9BClNO2
분자량: 209.44

이름 및 동의어

6-Chloro-1-methyl-1H-indole-2-boronic acidRefChem:541396692-017-06-Chloro-1-methylindole-2-boronic acid957066-11-4(6-Chloro-1-methyl-1H-indol-2-yl)boronic acidMFCD09878352(6-chloro-1-methylindol-2-yl)boronic acid6-chloro-1-methyl-1H-indol-2-ylboronic acid6-Chloro-1-methylindole-2-boronicacidN-methyl-6-chloroindole-2-boronic acid6-Chloro-1-methyl-1H-indol-2-yl-2-boronic acid

이름 더 보기

Boronic acid, B-(6-chloro-1-methyl-1H-indol-2-yl)-

SCHEMBL1605841SCHEMBL29951841DTXSID00657316HAKQDXBWDPGHDD-UHFFFAOYSA-NAKOS015851062PS-94326-Chloro-1-methyl-indole-2-boronic acidSY256492

데이터베이스 식별자

CAS: 957066-11-4
PubChem CID: 44119594
DTXSID: DTXSID00657316
EC Number: 692-017-0

물성

구조 계산 물성

극성 표면적: 45.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 217

물리화학적 성질

녹는점: 118 · 118-120°C
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
물리적 상태: 고체
색상: 베이지색

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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)

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