기본 정보
- CAS
121-46-0- 표준 SMILES
C1=CC2C=CC1C2- InChIKey
SJYNFBVQFBRSIB-UHFFFAOYSA-N- 분자식
- C7H8
- 평균 분자량
- 92.14 g/mol
- 단동위원소 질량
- 92.06260026
개요
2,5-norbornadiene, stabilized appears as a colorless liquid. Insoluble in water and less dense than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation and skin absorption. When heated will polymerize and at decomposition emits acrid smoke and irritating fumes.
이름 및 식별자
- 우선 이름
- Norbornadiene
- IUPAC
- bicyclo[2.2.1]hepta-2,5-diene
- 현지명
- 노르보나디엔(2,5-)
- 영어명
- 2,5-Norbornadiene
- 분자식
- C7H8
- 분자량
- 92.14
이름 및 동의어
2,5-NorbornadieneBicyclo[2.2.1]hepta-2,5-diene121-46-0NorbornadieneDicycloheptadieneBICYCLO(2.2.1)HEPTA-2,5-DIENEBicyclo(2.2.1)heptadieneUN2251W9ZTQ75ZUS3,6-Methano-1,4-cyclohexadieneNSC-13672DTXSID1059523
이름 더 보기
노르보나디엔(2,5-)2,5-노보나디엔다이클로로헵타다이엔BICYCLO[2.2.1]-2,5-HEPTADIENENorborna-2,5-dieneBicyclo[2.2.1]hepta-2,5-diene, 97%, stabilized with 0.05 - 0.25% BHT, 97%Norbornadine2,5-NORBORNADINE
UN-2251Bicyclo[2.2.1]heptadieneRefChem:83016DTXCID6033669204-472-0BicycloheptadieneMFCD00082301NSC 13672
데이터베이스 식별자
- CAS
121-46-0、16422-76-7- PubChem CID
- 8473
- DTXSID
DTXSID1059523- UNII
- W9ZTQ75ZUS
- EC Number
- 204-472-0
- Nikkaji
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 103
실험 및 물리화학적 성질
Chemical Classes
Other Classes -> Aliphatics, Unsaturated
Flammable agents - 3rd degree
SpringerMaterials PropertiesCoriolis coupling
LogP2.67
Flash Point-6 °F (NFPA, 2010)
Vapor Pressure25.5 [mmHg]
Physical Description
2,5-norbornadiene, stabilized appears as a colorless liquid. Insoluble in water and less dense than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation and skin absorption. When heated will polymerize and at decomposition emits acrid smoke and irritating fumes.
Liquid
Liquid with a foul odor; [Merck Index] Colorless liquid; [CAMEO]
물리화학적 성질
- 녹는점
- -20 · -20--19°C
- 끓는 점
- 89 °C · 89 °C(lit.)
- 밀도
- 0.906 g/mL · 0.906 g/mL at 25 °C(lit.)
- 증기압
- 69 hPa · 69 hPa (20 °C)
- 굴절률
- 20 · n20/D 1.470(lit.)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 84 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Bicyclo[2.2.1]hepta-2,5-diene
Bicyclo[2.2.1]hepta-2,5-diene is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Bicyclo[2.2.1]hepta-2,5-diene are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 22-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/26780
2,5-Norbornadiene: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelFlammable Liquid
Fire Hazards
Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible); polymerization hazard]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible); polymerization hazard]:
CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas.
화학 및 산업
용도 및 제조
UsesUsed to make synthetic rubber; [ChemIDplus] Used in organic, organometallic, and petrochemical synthesis; Used as an intermediate for aldrin; [Merck Index]
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesIntermediate
General Manufacturing Information
Pharmaceutical and Medicine Manufacturing
Bicyclo[2.2.1]hepta-2,5-diene: ACTIVE
응용 분야
용도2,5-Norbornadiene is used as an intermediate in prostaglandin synthesis and shows anti-ethylene effect on plants. It acts as a starting material for the synthesis of diamantane and as an acetylene transfer agent for instance, in reaction with 3,6-di-2-pyridyl-1,2,4,5-tetrazine. It is also a useful dienophile in Diels-Alder reactions.
일반 설명2,5-norbornadiene, stabilized appears as a colorless liquid. Insoluble in water and less dense than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation and skin absorption. When heated will polymerize and at decomposition emits acrid smoke and irritating fumes.
제조 방법
2,5-Norbornadiene is of interest as a metal-binding ligand, whose complexes are useful for homogeneous catalysis. Norbornadiene can be formed by a Diels-Alder reaction between cyclopentadiene and acetylene.
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