(1-BENZYL-1H-IMIDAZOL-2-YL)아세토니트릴

(1-benzyl-1H-imidazol-2-yl)acetonitrile

HCID 817477CAS 21125-22-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: N#CCc1nccn1Cc1ccccc1
InChIKey: BMZHQSYXCWLVBE-UHFFFAOYSA-N
분자식: C12H11N3
평균 분자량: 197.24 g/mol
단동위원소 질량: 197.09529736

이름 및 식별자

우선 이름: (1-benzyl-1H-imidazol-2-yl)acetonitrile
IUPAC: 2-(1-benzylimidazol-2-yl)acetonitrile
현지명: (1-BENZYL-1H-IMIDAZOL-2-YL)아세토니트릴
영어명: (1-Benzyl-1H-imidazol-2-yl)acetonitrile
분자식: C12H11N3
분자량: 197.24

이름 및 동의어

21125-22-4(1-benzyl-1H-imidazol-2-yl)acetonitrileDTXSID70355812RefChem:204445DTXCID403068712-(1-benzyl-1H-imidazol-2-yl)acetonitrile2-(1-benzylimidazol-2-yl)acetonitrile1H-Imidazole-2-acetonitrile, 1-(phenylmethyl)-N-benzyl-2-cyanomethylimidazoleSCHEMBL9715226BMZHQSYXCWLVBE-UHFFFAOYSA-NWAA12522

이름 더 보기

(1-BENZYL-1H-IMIDAZOL-2-YL)아세토니트릴1-BENZYL-2-CYANOMETHYL IMIDAZOLE1- Benzyl -1H-imidazole-2-acetonitrile

MFCD00234790SBB092180AKOS0013415452-[1-benzylimidazol-2-yl]ethanenitrileDA-20256CS-0243582EN300-26599G44579

데이터베이스 식별자

CAS: 21125-22-4
PubChem CID: 817477
DTXSID: DTXSID70355812
EC Number: 101-519-6

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 41.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 236

물리화학적 성질

끓는 점: 382.2 · 382.2±25.0 °C(Predicted)
밀도: 1.08 · 1.08±0.1 g/cm3(Predicted)
산도 계수 (pKa): 5.58 · 5.58±0.31(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, P319, P321, P330, 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.

유해성 정보

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

화학 및 산업

공급사1 곳

DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

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