기본 정보
- 표준 SMILES
O=C1OC(=O)c2cc3ccccc3cc21- InChIKey
IZJDCINIYIMFGX-UHFFFAOYSA-N- 분자식
- C12H6O3
- 평균 분자량
- 198.17 g/mol
- 단동위원소 질량
- 198.03169405
이름 및 식별자
- 우선 이름
- Naphtho(2,3-c)furan-1,3-dione
- IUPAC
- benzo[f][2]benzofuran-1,3-dione
- 현지명
- 나프톨[2,3-c]퓨란-1,3-다이온
- 영어명
- 2,3-Naphthalenedicarboxylic Anhydride
- 분자식
- C12H6O3
- 분자량
- 198.17
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
716-39-2- PubChem CID
- 69743
- DTXSID
DTXSID9061049- UNII
- AYA8A7JT6P
- EC Number
- 211-936-6
- Nikkaji
- J193.086I
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 43.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 280
물리화학적 성질
- 녹는점
- 246 °C · 246 °C
- 끓는 점
- 275 · 275-280 °C(Press: 100 Torr)
- 밀도
- 1.449 · 1.449±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 페일베이지
- 안정성
- 수분에 민감한
- InChI
- InChI=1S/C12H6O3/c13-11-9-5-7-3-1-2-4-8(7)6-10(9)12(14)15-11/h1-6H
- InChIKey
- IZJDCINIYIMFGX-UHFFFAOYSA-N
- SMILES
- O1C(=O)C2=CC3C(C=C2C1=O)=CC=CC=3
- EPA
- 2 · Naphtho[2,3-c]furan-1,3-dione (716-39-2)
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
안전 데이터
- tsca
- TSCA listed
- HS 번호
- 2917.39.7000
- safety_code
- 22-24/25
- 기존화학 물질
- 2003-3-2439
화학 및 산업
용도 및 제조
응용 분야
개요A few years ago, the product was still synthesized from the corresponding diacid, but in recent years, it has been difficult to find the shadow of the diacid in the market, and the sales of this product have been repeatedly restricted, resulting in high prices.
용도2,3-Naphthalic anhydride is used as a reagent to synthesize analogues of Thalidomide (T338850), an inhibitor of tumour necrosis factor that was once abandoned because it caused birth defects, but is currently used as an inhibitor of angiogenesis in patients with multiple myeloma.
제조 방법
Add anhydrous tetrahydrofuran (its mass ratio to maleic anhydride is 1.5:1), cat-1 (0.05 mole), maleic anhydride (1 mole), and o-phthalaldehyde (1.5 mole) to the reactor. After adding triethylamine (5 moles), adjust the temperature below -40°C. Silicon tetrachloride (4 moles) was added dropwise to the reaction system and the reaction was placed at -40 °C for 4 h. The mixture was heated to reflux for 20 h. After the end of the reaction, concentrating the solution to a certain concentration with diatomaceous earth filtration. A light yellow solid, namely 2,3-Naphthalenedicarboxylic Anhydride, is obtained by precipitation, filtration, recrystallization and drying. Its yield reaches 88%.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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