CAS 13275-42-8 2-(2-Bromophenyl)-1H-benzimidazole (HCID 97511)

기본 정보

CAS: 13275-42-8
표준 SMILES: Brc1ccccc1-c1nc2ccccc2[nH]1
InChIKey: KOXRUUGKLDCECO-UHFFFAOYSA-N
분자식: C13H9BrN2
평균 분자량: 273.13 g/mol
단동위원소 질량: 271.99491

이름 및 식별자

우선 이름: 2-(2-Bromophenyl)-1H-benzimidazole
IUPAC: 2-(2-bromophenyl)-1H-benzimidazole
현지명: 2-(2-브로모페닐)-1H-벤즈이미다졸
영어명: 2-(2-Bromophenyl)-1H-benzimidazole
분자식: C13H9BrN2
분자량: 273.13

이름 및 동의어

13275-42-82-(2-Bromophenyl)-1H-benzimidazole1H-Benzimidazole, 2-(2-bromophenyl)-Benzimidazole, 2-(o-bromophenyl)-G 641DTXSID80157748NSC 128738RefChem:84016DTXCID1080239802-990-72-(2-BROMOPHENYL)-1H-BENZO[D]IMIDAZOLE2-(2-bromophenyl)-1H-1,3-benzodiazole

이름 더 보기

2-(2-브로모페닐)-1H-벤즈이미다졸2-(2-bromophenyl)-1H-benzenebenzo[d]imidazole

2-(2-BROMOPHENYL)BENZOIMIDAZOLEC13H9BrN2MFCD004499692-(2-bromophenyl)benzimidazole2-(2-bromo-phenyl)-1H-benzoimidazoleCBMicro_013545SCHEMBL226819SCHEMBL30011740

데이터베이스 식별자

CAS: 13275-42-8
PubChem CID: 97511
DTXSID: DTXSID80157748
EC Number: 802-990-7
Nikkaji: J2.013.019I

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 28.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 246

물리화학적 성질

녹는점: 235 · 235-240
끓는 점: 446.6 · 446.6±47.0 °C(Predicted)
밀도: 1.546 · 1.546±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 11.1 · 11.10±0.10(Predicted)
색상: 흰색에서 노란색, 주황색으로
InChI: 1S/C13H9BrN2/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H,(H,15,16)
InChIKey: KOXRUUGKLDCECO-UHFFFAOYSA-N
SMILES: Brc1ccccc1-c2nc3ccccc3[nH]2

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.