무수시트라콘산
Citraconic Anhydrides
기본 정보
- CAS
616-02-4- 표준 SMILES
CC1=CC(=O)OC1=O- InChIKey
AYKYXWQEBUNJCN-UHFFFAOYSA-N- 분자식
- C5H4O3
- 평균 분자량
- 112.08 g/mol
- 단동위원소 질량
- 112.01604399
개요
Methylmaleic anhydrides.
이름 및 식별자
- 우선 이름
- Citraconic Anhydrides
- IUPAC
- 3-methylfuran-2,5-dione
- 현지명
- 무수시트라콘산
- 영어명
- Citraconic anhydride
- 분자식
- C5H4O3
- 분자량
- 112.08
이름 및 동의어
Citraconic AnhydridesAnhydride, CitraconicAnhydrides, CitraconicMethylmaleic AnhydridesAnhydrides, Methylmaleic2 Methylmaleic AnhydrideAnhydride, 2-MethylmaleicRefChem:388886Citraconic anhydride616-02-43-methylfuran-2,5-dione2-Methylmaleic anhydride
이름 더 보기
무수시트라콘산시트라콘무수물시트라콘무수물(CITRACONICANHYDRIDE)CTA3-methyl-furan-2,5-dionealpha-methylmaleicanhydridemethyl-maleicanhydrid3-methyl-5-furandioneIndobufen Impurity 53
2,5-Furandione, 3-methyl-METHYLMALEIC ANHYDRIDE3-Methylmaleic anhydrideCitraconic acid anhydrideMonomethylmaleic anhydrideMaleic anhydride, methyl-3-methyl-2,5-dihydrofuran-2,5-dione3-Methyl-2,5-furandione
데이터베이스 식별자
- CAS
616-02-4- PubChem CID
- 12012
- DTXSID
DTXSID8060660- ChEMBL
CHEMBL398893- UNII
- 105NP7PMXX
- EC Number
- 210-459-0
- Nikkaji
- J55.438C、J679.309F
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 43.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 178
실험 및 물리화학적 성질
PolymersPlastics & Rubber -> Acid Anhydrides, Cyclic
SpringerMaterials PropertiesBoiling point
Density1.2469 @ 16 °C/4 °C
Color/FormCOLORLESS LIQUID
SolubilitySOL IN ALCOHOL, ETHER, ACETONE
Boiling Point213-214 °C @ 760 MM HG
Melting Point7-8 °C
Vapor Pressure1 MM HG @ 47.1 °C
Refractive IndexIndex of refraction: 1.4716 at 21 °C/D
Physical DescriptionColorless liquid; mp = 7-8 deg C; [Hawley] Clear almost colorless liquid; mp = 7 deg C; [MSDSonline]
Other Experimental PropertiesDECOMP IN WATER
물리화학적 성질
- 녹는점
- 6 · 6-10 °C (lit.)
- 끓는 점
- 213 · 213-214 °C (lit.)
- 밀도
- 1.247 g/mL · 1.247 g/mL at 25 °C (lit.)
- 증기 밀도
- 4 · 4 (vs air)
- 증기압
- 1.3 hPa · 1.3 hPa ( 47 °C)
- 굴절률
- 20 · n20/D 1.471(lit.)
- 인화점
- 215 °F · 215 °F
- 저장 조건
- 2 · Inert atmosphere,2-8°C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 액체
- 색상
- 투명하고 무색에서 아주 약간 노란색을 띤다.
- 수용성
- 물에서 분해되다
- BRN
- 1835 · 1835
- Dielectric constant
- 40.3 · 40.3(20℃)
- InChI
- 1S/C5H4O3/c1-3-2-4(6)8-5(3)7/h2H,1H3
- InChIKey
- AYKYXWQEBUNJCN-UHFFFAOYSA-N
- SMILES
- CC1=CC(=O)OC1=O
- LogP
- -0.232 · -0.232 (est)
- NIST
- 2 · 2,5-Furandione, 3-methyl-(616-02-4)
- EPA
- 2 · 2,5-Furandione, 3-methyl- (616-02-4)
화학적 성질
clear colorless to very slightly yellow liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H311 (23.9%): Toxic in contact with skin [Danger Acute toxicity, dermal]
P233, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P333+P317, P342+P316, P361+P364, P362+P364, P363, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 222 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationStatus: Active Update: 24-02-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/16743
Hazards SummaryAn irritant; [MSDSonline] See Maleic anhydride. See ACID ANHYDRIDES.
Hazard Classes and CategoriesAcute Tox. 3 (23.9%)
독성 정보
Non-Human Toxicity Excerpts
... CITRACONIC ACID ANHYDRIDE TESTED FULL STRENGTH BY DROP APPLICATION TO RABBITS EYES CAUSED SEVERE INJURY LIKE THAT CAUSED BY ACETIC ACID.
VARIOUS CHEMICAL GROUPS WERE EVALUATED FOR THEIR SKIN SENSITIZATION POTENTIAL IN THE GUINEA PIG. CITRACONIC ANHYDRIDE SENSITIZED 3 OF 10 GUINEA PIGS.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- GE6825000
- ridadr
- UN 2810 6.1/PG 3
- HS 번호
- 29171990
- risk_code
- 23/24/25-36/37/38-42/43-34-24
- hazard_code
- T
- safety_code
- 26-36/37/39-45-28A-23-36/37
- 포장분류
- III
- 위험 등급
- 6.1
- F 고인화성물질
- 10-21
- Hazard Classifications
- Eye Dam. 1Resp. Sens. 1Skin Corr. 1BSkin Sens. 1
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
- 유해 물질 데이터
- 616-02-4(Hazardous Substances Data)
화학 및 산업
용도 및 제조
Uses
Used as reagent for alkalies, alcohols, and amines; as monomer for specialty unsaturated polyester resins; [HSDB]
REAGENT FOR ALKALIES, ALCOHOLS, AND AMINES
MONOMER FOR SPECIALTY UNSATURATED POLYESTER RESINS
ANALYTICAL REAGENT FOR ALKALIES, ALCOHOLS & AMINES
U.S. Production(1979) AT LEAST 4.54X10+8 GRAMS
Methods of Manufacturing
PRODUCTION OF CITRACONIC ANHYDRIDE FROM ITACONIC ACID.
VACUUM PYROLYSIS OF CITRIC OR ITACONIC ACID
Formulations/PreparationsGRADES: REAGENT.
General Manufacturing Information2,5-Furandione, 3-methyl-: ACTIVE
응용 분야
용도Citraconic anhydride is used as a monomer for specialty unsaturated polyester resins. It is used to prepare bicyclic pyrrolidines, maleimides and co- and terpolymers. It is also used for the protection of N-terminal amino acids. Further, it is involved in the preparation of clothing ping acid and its amide. In addition to this, it is selectively used for the isolation of histidyl peptides.
일반 설명Citraconic anhydride is a reversible blocking agent for the lysine side chain. A major advantage of the citraconic anhydride reaction is that the blocking group can be readily removed without causing protein denaturation[1].
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