3-(1H-벤지미다졸-2-YL)아닐린

3-(1H-1,3-benzodiazol-2-yl)aniline

HCID 348695CAS 7596-74-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1cccc(-c2nc3ccccc3[nH]2)c1
InChIKey: JHTBOVFZNCAYFZ-UHFFFAOYSA-N
분자식: C13H11N3
평균 분자량: 209.25 g/mol
단동위원소 질량: 209.09529736

이름 및 식별자

우선 이름: 3-(1H-1,3-benzodiazol-2-yl)aniline
IUPAC: 3-(1H-benzimidazol-2-yl)aniline
현지명: 3-(1H-벤지미다졸-2-YL)아닐린
영어명: 3-(1H-Benzimidazol-2-yl)aniline
분자식: C13H11N3
분자량: 209.25

이름 및 동의어

3-(1H-1,3-benzodiazol-2-yl)anilineRefChem:489749636-044-87596-74-93-(1H-benzimidazol-2-yl)aniline3-(1H-BENZO[D]IMIDAZOL-2-YL)ANILINE3-(1H-Benzoimidazol-2-yl)-phenylamineMFCD006004073-benzimidazol-2-ylphenylamineSMR000015589NSC408147Benzenamine, 3-(1H-benzimidazol-2-yl)-

이름 더 보기

3-(1H-벤지미다졸-2-YL)아닐린3-(1H-benz[d]imidazol-2-yl)aniline3-(1H-benzo[d]iMidazol-2-yl)benzenaMine3-(1H-benzimidazol-2-yl)aniline(SALTDATA: FREE)

Cambridge id 5760621Oprea1_160905Oprea1_647109MLS000103357MLS000108485SCHEMBL7588452-(3-aminophenyl)benzimidazoleCHEMBL1313788

데이터베이스 식별자

CAS: 7596-74-9
PubChem CID: 348695
DTXSID: DTXSID80324993
ChEMBL: CHEMBL1313788
EC Number: 636-044-8
Nikkaji: J340.016F

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 54.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 243

물리화학적 성질

녹는점: 252 · 252-253 °C
끓는 점: 482.5 · 482.5±47.0 °C(Predicted)
밀도: 1.286 · 1.286±0.06 g/cm3(Predicted)
산도 계수 (pKa): 11.5 · 11.50±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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+P351+P338, 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 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

위험 등급: IRRITANT

화학 및 산업

공급사14 곳

山东普创医药科技有限公司18953403321 · [email protected]

Clearsynth Labs Limited+91-22-26355700 · [email protected]

上海裕兰生物科技有限公司021-57171705 13817537615 · [email protected]

上海源叶生物科技有限公司13636370518 · [email protected]

上海林栎生物科技有限公司13761635123 · [email protected]

연결된 노트

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