3,3',4,4'-벤조페논 테트라카본산 2무수물

4,4'-Carbonyldiphthalic anhydride

HCID 75498CAS 2421-28-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(c1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)OC2=O
InChIKey: VQVIHDPBMFABCQ-UHFFFAOYSA-N
분자식: C17H6O7
평균 분자량: 322.22 g/mol
단동위원소 질량: 322.01135253

이름 및 식별자

우선 이름: 4,4'-Carbonyldiphthalic anhydride
IUPAC: 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione
현지명: 3,3',4,4'-벤조페논 테트라카본산 2무수물
영어명: 3,3',4,4'-Benzophenonetetracarboxylic dianhydride
분자식: C17H6O7
분자량: 322.23

이름 및 동의어

2421-28-53,3',4,4'-Benzophenonetetracarboxylic dianhydrideBenzophenonetetracarboxylic dianhydride1,3-Isobenzofurandione, 5,5'-carbonylbis-4,4'-Carbonyldiphthalic anhydrideBenzophenonetetracarboxylic acid dianhydride4,4'-Carbonylbis(phthalic anhydride)4,4'-Diphthalic anhydride ketonePhthalic anhydride, 4,4'-carbonyldi-DTXSID3029233NSC 784803,3',4,4'-Benzophenonetetracarboxylic acid dianhydride

이름 더 보기

3,3',4,4'-벤조페논테트라카본산2무수물3,3'4,4'-벤조페논테트라카복실디무수물3/3'4/4'-벤조페논테트라카르복실디무수물3,3'4,4'-벤조페논테트라카복실디무수물(3,3'4,4'-BENZOPHENONETETRACARBOXYL...BTDANOTAVAILABLE5,5'-Carbonylbis(isobenzofuran-1,3-dione)Benzophenone-3,3',4,4'-tetracarboxylic dianhydrideBenzophenone-3,3',4,4'-tetracarboxylic dianhydride5,5'-CarbonylbisLABOTEST-BB LT02097910

3,3',4,4'-Tetracarboxybenzophenone dianhydrideY61GVA8097EINECS 219-348-1NSC-78480DTXCID409233EC 219-348-1Benzophenone-3,3':4,4'-tetracarboxylic dianhydride5,5'-CARBONYLBIS(1,3-ISOBENZOFURANDIONE)

데이터베이스 식별자

CAS: 2421-28-5
PubChem CID: 75498
DTXSID: DTXSID3029233
ChEMBL: CHEMBL3183537
UNII: Y61GVA8097
EC Number: 219-348-1
Nikkaji: J39.692C

물성

구조 계산 물성

XLogP: 2
극성 표면적: 104 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 7
회전 가능 결합 수: 2
무거운 원자 수: 24
형식 전하: 0
복잡도: 597

물리화학적 성질

녹는점: 218 · 218-222 °C (lit.)
끓는 점: 320 °C · 320°C 5mm
밀도: 1 · 1,57 g/cm3
증기 밀도: 1.4 · 1.4 (vs air)
증기압: 0.1 mm · <0.1 mm Hg ( 0 °C)
굴절률: 1.638 · 1.6380 (estimate)
인화점: 324 °C · 324 °C
저장 조건: Inert atmosphere,Room Temperature
용해도: 0.1 g/mL, · DMF: 0.1 g/mL, 투명
물리적 상태: 바늘 또는 결정성 분말
색상: 황백색에서 갈색까지
폭발한계: 16 % · 16%
수용성: 물과 반응
BRN: 761777 · 761777
안정성: 흡습성
InChI: 1S/C17H6O7/c18-13(7-1-3-9-11(5-7)16(21)23-14(9)19)8-2-4-10-12(6-8)17(22)24-15(10)20/h1-6H
InChIKey: VQVIHDPBMFABCQ-UHFFFAOYSA-N
SMILES: O=C1OC(=O)c2cc(ccc12)C(=O)c3ccc4C(=O)OC(=O)c4c3
LogP: 3.3 at · 3.3 at 25℃
NIST: Bis-(3-phthalyl anhydride) ketone(2421-28-5)
EPA: Benzophenonetetracarboxylic dianhydride (2421-28-5)

화학적 성질

white crystall powder

안전 및 규제

안전 데이터

wgk: 1
tsca: TSCA listed
HS 번호: 29183000
risk_code: 36/37
hazard_code: Xi
safety_code: 25
기존화학 물질: KE-04762
F 고인화성물질: 21
자연 발화 온도: 975 °F
Hazard Classifications: Eye Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도BTDA is important monomer of polyimide, and used for production of polyimide material.

일반 설명Benzophenone-3,3′,4,4′-tetracarboxylic acid is formed by hydrolysis, it can be converted to the dianhydride by treating with Ac2O (molar ratio 4 to 1 of acid).The dianhydride is used to synthesize polyimides, which are highly flexible in nature due to the presence of keto and carbonyl groups in the dianhydride molecule. The keto and carbonyl groups subsequently increase the spacing between the imide rings enhancing the solubility and processibility.