기본 정보
- 표준 SMILES
Cc1ccc2cccnc2c1- InChIKey
KDYVCOSVYOSHOL-UHFFFAOYSA-N- 분자식
- C10H9N
- 평균 분자량
- 143.18 g/mol
- 단동위원소 질량
- 143.07349929
개요
7-methylquinoline appears as clear yellow liquid or oil. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 7-Methylquinoline
- IUPAC
- 7-methylquinoline
- 영어명
- 7-Methylquinoline
- 분자식
- C10H9N
- 분자량
- 143.19
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
612-60-2- PubChem CID
- 11927
- DTXSID
DTXSID5025657- ChEMBL
CHEMBL1322524- UNII
- EOW995K43C
- EC Number
- 210-316-2
- Nikkaji
- J842G
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 12.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 133
실험 및 물리화학적 성질
Physical Description
7-methylquinoline appears as clear yellow liquid or oil. (NTP, 1992)
Clear yellow liquid; mp = 35-38 deg C; [CAMEO] Viscous liquid; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 35 · 35-37 °C(lit.)
- 끓는 점
- 258 °C · 258 °C(lit.)
- 밀도
- 1.061 · 1.061
- 굴절률
- 1.607 to · 1.6070 to 1.6210
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Room Temperature
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 5.44 · 5.44±0.14(Predicted)
- 물리적 상태
- 점성 액체
- 색상
- 미색부터 페일 베이지까지
- 수용성
- 20 °C에서 · 20°C에서 <0.1g/100mL
- BRN
- 110317 · 110317
- 안정성
- 안정적인. 강한 산화제, 강산과 호환되지 않습니다. 빛에 민감할 수 있습니다.
- InChI
- 1S/C10H9N/c1-8-4-5-9-3-2-6-11-10(9)7-8/h2-7H,1H3
- InChIKey
- KDYVCOSVYOSHOL-UHFFFAOYSA-N
- SMILES
- Cc1ccc2cccnc2c1
- NIST
- 7 · Quinoline, 7-methyl-(612-60-2)
- EPA
- 7 · 7-Methylquinoline (612-60-2)
화학적 성질
white to light yellow crystal powder
안전 및 규제
GHS 분류
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Reactivity Profile
7-METHYLQUINOLINE may be sensitive to exposure to light. May react vigorously with strong oxidizing agents and strong acids (NTP, 1992). Neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.
안전 및 보호
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- VC0560000
- HS 번호
- 29334900
- risk_code
- 37/38-41
- hazard_code
- Xi
- safety_code
- 26-39
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
응용 분야
용도7-methylquinoline has been bioassayed as tumor initiator on the skin of Sencar mice.
일반 설명7-Methylquinoline is a reagent used in the preparation of diarylmethylpiperazines as potent opioid receptor agonists with improved side effects. Also used in the preparation of novel pyrazine compounds derived from 2-phenylquinolin-7-yl which act as potent insulin-like growth factor-I receptor inhibitors.
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