기본 정보
- CAS
2746-19-2- 표준 SMILES
O=C1OC(=O)[C@H]2[C@@H]1[C@@H]1C=C[C@H]2C1- InChIKey
KNDQHSIWLOJIGP-RNGGSSJXSA-N- 분자식
- C9H8O3
- 평균 분자량
- 164.16 g/mol
- 단동위원소 질량
- 164.04734411
이름 및 식별자
- 우선 이름
- Himic anhydride
- IUPAC
- (1R,2R,6S,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
- 영어명
- cis-5-Norbornene-exo-2,3-dicarboxylic anhydride
- 분자식
- C9H8O3
- 분자량
- 164.16
이름 및 동의어
2746-19-2Himic anhydrideN1KQO6559B4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3aR,4R,7S,7aS)-rel-exo-3,6-Methylene-1,2,3,6-tetrahydrophthalic anhydrideDTXSID70883721NSC-110659RefChem:788377DTXCID101023218(1alpha,2alpha,3beta,6beta)-1,2,3,6-tetrahydro-3,6-methanophthalic anhydride220-384-5(3aR,4R,7S,7aS)-rel-3a,4,7,7a-Tetrahydro-4,7-methanoisobenzofuran-1,3-dione
이름 더 보기
EXO-NA(3aR,7aS)-3a,4,7,7a-tetrahydro-4,7-Methanoisobenzofuran-1,3-dione5-norbornene-2-exo-3-exo-dicarboxylic anhydride(1α,2α,3β,6{f1b})-1,2,3,6-tetrahydro-3,6-methanophthalicanhydride(3at,7at)-3a,4,7,7a-tetrahydro-4r,7c-methano-isobenzofuran-1,3-dione(3aR,4R,7S,7aS)-3a,4,7,7a-tetrahydro-4,7-Methanoisobenzofurn-1,3-dioneNsc110659cis-himic anhydrideNadic Anhydride (NA)
cis-5-Norbornene-exo-2,3-dicarboxylic anhydridecis-Norbornene-exo-2,3-dicarboxylic Anhydride(1S,2S,6R,7R)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-,(3aR,4R,7S,7aS)-rel-MFCD00630580(3aR,4R,7S,7AS)-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1,3-dioneexo-5-Norbornene-2,3-dicarboxylic anhydrideendicanhydride
데이터베이스 식별자
- CAS
2746-19-2- PubChem CID
- 637794
- DTXSID
DTXSID70883721- UNII
- N1KQO6559B
- EC Number
- 220-384-5
- Nikkaji
- J299.208F
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 43.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 277
실험 및 물리화학적 성질
Physical DescriptionSolid; [Aldrich MSDS]
물리화학적 성질
- 녹는점
- 140 · 140-145 °C(lit.)
- 끓는 점
- 331.1 · 331.1±42.0 °C(Predicted)
- 밀도
- 1.405 · 1.405±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · Inert atmosphere,2-8°C
- 용해도
- 클로로포름에 용해됨
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- InChI
- InChI=1/C9H8O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-7H,3H2/t4-,5+,6+,7-
- InChIKey
- KNDQHSIWLOJIGP-RNGGSSJXSA-N
- SMILES
- C1(=O)[C@]2([H])[C@@]([H])([C@]3([H])C[C@@]2([H])C=C3)C(=O)O1 |&1:2,4,6,9,r|
- LogP
- -0.102 · -0.102 (est)
- EPA
- 4 · 4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3aR,4R,7S,7aS)-rel- (2746-19-2)
화학적 성질
Off-white to tan solid
안전 및 규제
GHS 분류
GHS Classification
Danger
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]；H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]；H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
P233, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
Danger
유해성 정보
Regulatory InformationHazard Traits - Respiratory Toxicity；Authoritative List - EC Annex VI Resp. Sens. - Cat. 1；Report - if used as a fragrance or flavor ingredient
Hazards SummaryOccupational asthma reported in workers manufacturing flame retardants; [Malo] An irritant that may cause serious eye injury; May cause sensitization by skin contact and inhalation; [Aldrich MSDS] See ACID ANHYDRIDES.
Hazard Classes and Categories
Skin Sens. 1 (100%)；Eye Dam. 1 (100%)；Resp. Sens. 1 (100%)
Eye damage - category 1；Respiratory sensitisation - category 1；Skin sensitisation - category 1
Eye Dam. 1；Resp. Sens. 1；Skin Sens. 1
독성 정보
Adverse EffectsAsthma - Reversible bronchoconstriction (narrowing of bronchioles) initiated by the inhalation of irritating or allergenic agents.
규제 정보
Regulatory InformationHazard Traits - Respiratory Toxicity；Authoritative List - EC Annex VI Resp. Sens. - Cat. 1；Report - if used as a fragrance or flavor ingredient
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29189900
- risk_code
- 37/38-41-42/43
- hazard_code
- Xi,Xn
- safety_code
- 26-36-37/39-24-22
- Hazard Classifications
- Eye Dam. 1Resp. Sens. 1Skin Sens. 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing Information4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3aR,4R,7S,7aS)-rel-: ACTIVE
응용 분야
용도cis-5-Norbornene-exo-2,3-dicarboxylic anhydride is used as an organic chemical synthesis intermediate.
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