기본 정보
- 표준 SMILES
Cc1nccn1Cc1ccccc1- InChIKey
FBHPRUXJQNWTEW-UHFFFAOYSA-N- 분자식
- C11H12N2
- 평균 분자량
- 172.23 g/mol
- 단동위원소 질량
- 172.10004839
이름 및 식별자
- 우선 이름
- 1H-Imidazole, 2-methyl-1-(phenylmethyl)-
- IUPAC
- 1-benzyl-2-methylimidazole
- 현지명
- 1-벤질-2-메틸이미다졸
- 영어명
- 1-Benzyl-2-methyl-1H-imidazole
- 분자식
- C11H12N2
- 분자량
- 172.23
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
13750-62-4- PubChem CID
- 83699
- DTXSID
DTXSID4065604- ChEMBL
CHEMBL1269154- UNII
- 5V6JMQ38AM
- EC Number
- 237-333-8
- Nikkaji
- J102.387J
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 17.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 152
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 57 °C · 57°C
- 끓는 점
- 125 · 125-127 °C/3 mmHg (lit.)
- 밀도
- 1.105 g/mL · 1.105 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.5645(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 투명한 액체
- 산도 계수 (pKa)
- 7.54 · 7.54±0.31(Predicted)
- 색상
- 무색~황색
- 수용성
- 불용성
- InChI
- 1S/C11H12N2/c1-10-12-7-8-13(10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
- InChIKey
- FBHPRUXJQNWTEW-UHFFFAOYSA-N
- SMILES
- Cc1nccn1Cc2ccccc2
- NIST
- 1 H-Imidazole, · 1H-Imidazole, 2-methyl-1-(phenylmethyl)-(13750-62-4)
- EPA
- 1 H-Imidazole, · 1H-Imidazole, 2-methyl-1-(phenylmethyl)- (13750-62-4)
화학적 성질
clear light yellow to amber liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H301 (15%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (77.6%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (99.1%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (25.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (73.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (85%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 107 reports by companies from 11 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
Regulatory Information
Chemical: 1H-Imidazole, 2-methyl-1-(phenylmethyl)-
1H-Imidazole, 2-methyl-1-(phenylmethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
규제 정보
Regulatory Information
Chemical: 1H-Imidazole, 2-methyl-1-(phenylmethyl)-
1H-Imidazole, 2-methyl-1-(phenylmethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- NI7722500
- HS 번호
- 29332900
- risk_code
- 22-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 26-36-24/25
- 기존화학 물질
- KE-24829
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
응용 분야
용도1-Benzyl-2-methylimidazole may be employed as catalyst to investigate the effect of catalysts on the curing reaction of the biphenyl epoxy (4,4′-diglycidyloxy-3,3′,5,5′-tetramethyl biphenyl)dicyclopentadiene type phenolic resin system.
일반 설명1-Benzyl-2-methylimidazole is a nitrogen heterocycle and forms mixed ligand Pt(II) complexes. 1-Benzyl-2-methylimidazole on treatement with ammonia and sodium yields 2-methylimidazole. Deposition of plasma-polymerized 1-benzyl-2-methylimidazole (PPBMI) thin films onto glass substrates by glow discharge technique have been reported.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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