1-Methyl-1H-benzoimidazole-6-boronic acid

HCID 46738679CAS 1072945-87-9

기본 정보

표준 SMILES: Cn1cnc2ccc(B(O)O)cc21
InChIKey: AOOJQSARVKLHLF-UHFFFAOYSA-N
분자식: C8H9BN2O2
평균 분자량: 175.98 g/mol
단동위원소 질량: 176.07570793

이름 및 식별자

우선 이름: 1-Methyl-1H-benzoimidazole-6-boronic acid
IUPAC: (3-methylbenzimidazol-5-yl)boronic acid
영어명: 1-Methyl-1H-benzoiMidazole-6-boronic acid
분자식: C8H9BN2O2
분자량: 175.98026

이름 및 동의어

1-METHYL-1H-BENZOIMIDAZOLE-6-BORONIC ACIDRefChem:433814801-180-01072945-87-9(1-Methyl-1H-benzo[d]imidazol-6-yl)boronic acid(3-methylbenzimidazol-5-yl)boronic acidMFCD09972099(1-methyl-1H-1,3-benzodiazol-6-yl)boronic acid1-methyl-1H-benzo[d]imidazol-6-ylboronic acidSCHEMBL2251360DTXSID90674335AOOJQSARVKLHLF-UHFFFAOYSA-N

이름 더 보기

AKOS006310388BS-255391-Methyl-1H-benzimidazole-6-boronic acidDB-059603CS-0128645(1-Methyl-1H-benzimidazol-6-yl)boronic acidEN300-152144G81973

데이터베이스 식별자

CAS: 1072945-87-9
PubChem CID: 46738679
DTXSID: DTXSID90674335
EC Number: 801-180-0

물성

구조 계산 물성

극성 표면적: 58.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 191

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.