기본 정보
- 표준 SMILES
COc1cccc2ccccc12- InChIKey
NQMUGNMMFTYOHK-UHFFFAOYSA-N- 분자식
- C11H10O
- 평균 분자량
- 158.2 g/mol
- 단동위원소 질량
- 158.07316494
이름 및 식별자
- 우선 이름
- 1-Methoxynaphthalene
- IUPAC
- 1-methoxynaphthalene
- 영어명
- 1-Methoxynaphthalene
- 분자식
- C11H10O
- 분자량
- 158.2
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
2216-69-5- PubChem CID
- 16668
- DTXSID
DTXSID5062263- UNII
- DG2EOL57LF
- EC Number
- 218-696-1
- Nikkaji
- J7.365B
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 9.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 144
실험 및 물리화학적 성질
Kovats Retention Index
1403
1434
2135;2143
물리화학적 성질
- 녹는점
- 5 °C · 5 °C
- 끓는 점
- 135 · 135-137 °C/12 mmHg (lit.)
- 밀도
- 1.09 g/mL · 1.09 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.621(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 클로로포름, 메탄올에 용해됨
- 물리적 상태
- 기름
- 색상
- 무색~황색으로 투명함
- Specific Gravity
- 1.1 · 1.1
- 수용성
- 섞일 수 없음
- BRN
- 7748884 · 7748884
- InChI
- 1S/C11H10O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
- InChIKey
- NQMUGNMMFTYOHK-UHFFFAOYSA-N
- SMILES
- COc1cccc2ccccc12
- LogP
- 3.45 · 3.450
- NIST
- 1 · Naphthalene, 1-methoxy-(2216-69-5)
- EPA
- 1 · Naphthalene, 1-methoxy- (2216-69-5)
화학적 성질
1-Methoxynaphthalene is an isomer of methoxynaphthalene. It is clear light yellow to brown liquid that aroma is not as good as 2-methoxynaphthalene. Insoluble in water, soluble in ethanol, ether, benzene and chloroform.
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 80% (4 of 5) of all reports.
H411 (20%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 4 of 5 reports by companies.;There is 1 notification provided by 1 of 5 reports by companies with hazard statement code(s).;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: Naphthalene, 1-methoxy-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 16-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21479
Naphthalene, 1-methoxy-: Does not have an individual approval but may be used under an appropriate group standard
규제 정보
Regulatory Information
Chemical: Naphthalene, 1-methoxy-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 16-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21479
Naphthalene, 1-methoxy-: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- QJ9465500
- ridadr
- UN 3082 9/PG III
- HS 번호
- 29093090
- safety_code
- 23-24/25
- 포장분류
- III
- 위험 등급
- 9
- 기존화학 물질
- KE-23328
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
응용 분야
용도1-Methoxynaphthalene is used in the study of peroxygenase activity of cytochrome c peroxidase. It is used as a precursor to synthesize prenyl naphthalene-ols, which shows antioxidative activity. It is also used in organic synthesis, pesticides, perfumes for making soaps, and film developers.
일반 설명1-Methoxynaphthalene, a methoxyphenolic compound, is a naphthalene derivative that finds application as a precursor for the preparation of pharmaceutical drugs, and also as a therapeutic agent.
제조 방법
1-Methoxynaphthalene can be obtained by methylating 1-naphthol, and the methylating reagent can be selected from methyl trifluoroacetate, dimethyl carbonate and dimethyl sulfate.
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