3D Mol Similar

사이클로 센

: IUPAC이름：cyclooctene; CAS 레지스트리 번호: 931-87-3; 분자 무게：110.2

견적을 보내다

1. 이름 및 식별자

: 1.1 제품명; 사이클로 센; 1.2 동의어; cis-Cyclooctene은 산화 방지제로 100-200 ppM Irganox 1076 FD를 함유하고 있으며 95 % (1Z) -Cyclooctene (Z) -cyclooctene 1-Cyclooctene Cyclooctene, (Z)- CYCLOOCTENE cis-Cyclooctene, 94 % cis 사이클로 센, 안정화, 95 %

1.3 CAS 레지스트리 번호: 931-87-3

1.4 CID: 638079

1.5 EINECS 번호: 213-245-5

1.6 분자식: C8H14 (isomer)

1.7 Inchi: InChI=1S/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2/b2-1-

1.8 InchiKey: URYYVOIYTNXXBN-UPHRSURJSA-N

1.9 교회법에 의거 한 SMILES: C1CCCC=CCC1

1.10 이성질체 SMILES: C1CCC/C=C\CC1

2. 속성

2.1 밀도: 0.84

2.2 융해점: -16℃

2.3 끓는점: 32-34 ° C 12 mm Hg (점등)

2.4 굴절 인덱스: n20/D 1.470

2.5 번쩍이는 점: 25℃

2.6 PSA: 0.00000

2.7 logP: 2.89680

2.8 가용성: H2O: insoluble

2.9 스토리지: 인화성 지역

2.10 물 용해도: 알코올 및 에테르와 혼용 가능. 물과 섞일 수 없습니다.

3. 보안 및 처리

3.1 위험 코드: Xn

3.2 R 구문: 10-65

3.3 S 구문: 29-33

3.4 위험 범주: 3

3.5 위험성 설명: H226

3.6 RIDADR: UN 3295 3 / PG 3

3.7 WGK 독일: 3

3.8 안전과 위험

위험 코드	Xn
R 구문	10-65
S 구문	29-33
RIDADR	UN 3295 3 / PG 3
WGK 독일	3
TSCA	가능
스토리지 클래스	3
포장 그룹	III

4. MSDS 정보

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H226 Flammable liquid and vapour
Precautionary statement(s)
Prevention	P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking. P233 Keep container tightly closed. P240 Ground and bond container and receiving equipment. P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment. P242 Use non-sparking tools. P243 Take action to prevent static discharges. P280 Wear protective gloves/protective clothing/eye protection/face protection.
Response	P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P370+P378 In case of fire: Use ... to extinguish.
Storage	P403+P235 Store in a well-ventilated place. Keep cool.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

모두 보기

5. NMR 스펙트럼

13C NMR : Predict

1H NMR : Predict

Mass spectrum (electron ionization)

UV/Visible spectrum

6. 합성 선형

931-87-3Total: 1 합성 선형

134357-87-2

931-88-4 28 공급자

87922-01-8

931-87-3 18 공급자

문헌:
Journal of the American Chemical Society, , vol. 113, # 12 p. 4712 - 4714
공장: null

7. 추가 정보

7.1 질러: 1280166

8. 화학 데이터 계산

분자량: 110.19676g/mol
분자식: C₈H₁₄
Compound Is Canonicalized: True
XLogP3-AA: 3.5
Exact Mass: 110.109550447
Monoisotopic Mass: 110.109550447
Complexity: 62.1
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 0
Topological Polar Surface Area: 0
Heavy Atom Count: 8
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 1
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAGAAAAAAACACAAAAAAAAAAACAACBCAAAAAAAgAAAICAAAAAgAAAIAAQAAAAAAgAAIAAMAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==