3D Mol Similar

1,8-Diaminooctane

: IUPAC이름：octane-1,8-diamine; CAS 레지스트리 번호: 373-44-4; 분자 무게：144.26

견적을 보내다

1. 이름 및 식별자

: 1.1 제품명; 1,8-Diaminooctane; 1.2 동의어; 1,8-Octanediamine, Octamethylenediamine

1.3 CAS 레지스트리 번호: 373-44-4

1.4 CID: 24250

1.5 EINECS 번호: 206-764-3

1.6 분자식: C8H20N2 (isomer)

1.7 Inchi: InChI=1S/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2

1.8 InchiKey: PWGJDPKCLMLPJW-UHFFFAOYSA-N

1.9 교회법에 의거 한 SMILES: C(CCCCN)CCCN

1.10 이성질체 SMILES: C(CCCCN)CCCN

2. 속성

2.1 밀도: 0.98 g/mL at 20 °C

2.2 융해점: 50-54℃

2.3 비등점: 225-226℃

2.4 굴절 인덱스: 1.4618 (estimate)

2.5 번쩍이는 점: 165℃

2.6 PSA: 52.04000

2.7 logP: 2.64500

2.8 가용성: 575g/l

2.9 PH: 11.7 (4g/l, H2O, 20℃)

2.10 pKa: 11.00, 10.1(at 20℃)

3. 보안 및 처리

3.1 위험 기호: Xi

3.2 위험 코드: R36/37/38

3.3 위험 범주: 8

3.4 위험성 설명: H314

3.5 WGK 독일: 3

3.6 RTECS: RG8841500

4. MSDS 정보

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin corrosion, Category 1B

Skin sensitization, Category 1

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed H314 Causes severe skin burns and eye damage H317 May cause an allergic skin reaction
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P260 Do not breathe dust/fume/gas/mist/vapours/spray. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P272 Contaminated work clothing should not be allowed out of the workplace.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P363 Wash contaminated clothing before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P310 Immediately call a POISON CENTER/doctor/\u2026 P321 Specific treatment (see ... on this label). P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P302+P352 IF ON SKIN: Wash with plenty of water/... P333+P313 If skin irritation or rash occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse.
Storage	P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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5. NMR 스펙트럼

13C NMR : in CDCl3

1H NMR : 90 MHz in CDCl3

IR : KBr disc

IR : nujol mull

Mass

Mass spectrum (electron ionization)

6. 합성 선형

373-44-4Total: 15 합성 선형

629-41-4 229 공급자

373-44-4 86 공급자

문헌:
Evonik Degussa GmbH Patent: US2012/203033 A1, 2012 ; Location in patent: Page/Page column 4 ;
공장: ~80%

925-83-7 150 공급자

373-44-4 86 공급자

문헌:
Bogatskii, A.V.; Luk'yanenko, N. G.; Kirichenko, T. I. Journal of Organic Chemistry USSR (English Translation), 1980 , vol. 16, p. 1124 - 1129 Zhurnal Organicheskoi Khimii, 1980 , vol. 16, # 6 p. 1301 - 1307
공장: ~38%

109-73-9 119 공급자

373-44-4 86 공급자

문헌:
Ahmad, Iftikhar; Rauf, A. M. A.; Saeed, Kamal M. Journal fuer Praktische Chemie (Leipzig), 1984 , vol. 326, # 1 p. 23 - 28
공장: null

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7. 전구체 및 제품

업스트림 제품:

3710-30-3

66095-31-6

109-73-9

925-83-7

111-19-3

28711-59-3

91346-99-5

1740-54-1

131259-40-0

629-41-4

111-20-6

10124-86-4

70110-28-0

629-40-3

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다운스트림 제품 :

39202-36-3

56375-95-2

66095-19-0

88829-82-7

104807-40-1

296-30-0

1477-57-2

92736-16-8

139120-35-7

33563-54-1

3868-84-6

92736-24-8

113850-87-6

184868-55-1

56312-14-2

2162-99-4

92736-12-4

28537-73-7

92736-20-4

88794-65-4

67047-12-5

19010-48-1

33625-19-3

629-40-3

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8. 화학 데이터 계산

분자량: 144.262g/mol
분자식: C₈H₂₀N₂
Compound Is Canonicalized: True
XLogP3-AA: 0.9
Exact Mass: 144.162648646
Monoisotopic Mass: 144.162648646
Complexity: 47.2
Rotatable Bond Count: 7
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 52
Heavy Atom Count: 10
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: AAADceBzAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHAAQAAAACADBAAQAAABAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAIAgAAAAAAAEAAAAAEQgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

9. 질문 및 답변

What is 1,8-Diaminooctane and how is it synthesized? May 07 2024
1,8-Diaminooctane is a straight-chain aliphatic diamine with the molecular formula C8H20N2. It appears as a colorless to pale yellow liquid with an odor similar to ammonia. Due to its two active amino..
What is the background and overview of 1,8-Diaminooctane? Sep 22 2021
1,8-Diaminooctane is an amine organic compound. Amine organic compounds have a wide range of applications in organic synthesis, including pesticides, pharmaceuticals, detergents, and polymers. Octaned..

10. 권장 공급업체

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1,8-Diaminooctane CAS 373-44-4

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1,8-Diaminooctane