3D Mol Similar

1-18탄기 염소

: IUPAC이름：octadecane-1-sulfonyl chloride; CAS 레지스트리 번호: 10147-41-8; 분자량：353.002

견적을 보내다

1. 이름 및 식별자

: 1.1 제품명; 1-18탄기 염소; 1.2 동의어; 1-Octadecanesulfonic acid chloride 1-OCTADECANESULFONYL CHLORIDE 1-Octadecylsulfonyl chloride Octadecan-1-sulfonyl chloride Octadecan-1-sulfonylchlorid octadecane-1-sulfonyl chloride octadecane-1-sulphonyl chloride Octadecylsulfonyl chloride

1.3 CAS 레지스트리 번호: 10147-41-8

1.4 CID: 66281

1.5 EINECS 번호: 233-417-3

1.6 분자식: C18H37ClO2S (isomer)

1.7 Inchi: InChI=1S/C18H37ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3

1.8 InchiKey: VDRWNKIQBYUKGD-UHFFFAOYSA-N

1.9 교회법에 의거 한 SMILES: CCCCCCCCCCCCCCCCCCS(=O)(=O)Cl

1.10 이성질체 SMILES: CCCCCCCCCCCCCCCCCCS(=O)(=O)Cl

2. 속성

2.1 밀도: 0.985

2.2 융해점: 58-60°C

2.3 비등점: 430.5°C at 760 mmHg

2.4 굴절 인덱스: 1.465

2.5 번쩍이는 점: 214.2°C

2.6 PSA: 42.52000

2.7 logP: 7.89730

3. 보안 및 처리

3.1 위험 코드: R34

3.2 위험 범주: 8

3.3 위험성 설명: H314

4. MSDS 정보

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H314 Causes severe skin burns and eye damage
Precautionary statement(s)
Prevention	none
Response	none
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

모두 보기

5. NMR 스펙트럼

13C NMR : Predict

1H NMR : Predict

6. 합성 선형

10147-41-8Total: 5 합성 선형

593-45-3 67 공급자

10147-41-8 3 공급자

문헌:
Fekarcha, Latifa; Tazerouti, Amel Journal of Surfactants and Detergents, 2012 , vol. 15, # 4 p. 419 - 431
공장: null

6140-87-0

10147-41-8 3 공급자

문헌:
Korea Research Instititute of Bioscience and Biotechnology; Seoul Pharma, Co., Ltd. Patent: US2010/144708 A1, 2010 ; Location in patent: Page/Page column 14 ;
공장: null

3386-33-2 79 공급자

10147-41-8 3 공급자

문헌:
Fekarcha, Latifa; Tazerouti, Amel Journal of Surfactants and Detergents, 2012 , vol. 15, # 4 p. 419 - 431
공장: null

모두 보기

7. 전구체 및 제품

업스트림 제품:

6140-87-0

58821-59-3

3386-33-2

112096-11-4

593-45-3

다운스트림 제품 :

3386-33-2

13893-34-0

8. 화학 데이터 계산

분자량: 353.002g/mol
분자식: C₁₈H₃₇ClO₂S
Compound Is Canonicalized: True
XLogP3-AA: 9.2
Exact Mass: 352.2202793
Monoisotopic Mass: 352.2202793
Complexity: 310
Rotatable Bond Count: 17
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 42.5
Heavy Atom Count: 22
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcfB4MABEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAQAAAAACACEQACCAAAAAAIAAAAAAHBAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==