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브롬화라우릴

1-Bromododecane

HCID 8919
새 노트새 반응견적 요청하기
인쇄 미리보기
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
143-15-7
표준 SMILES
CCCCCCCCCCCCBr
InChIKey
PBLNBZIONSLZBU-UHFFFAOYSA-N
분자식
C12H25Br
평균 분자량
249.23 g/mol
단동위원소 질량
248.11396

이름 및 식별자

우선 이름
1-Bromododecane
IUPAC
1-bromododecane
현지명
브롬화라우릴
영어명
1-Bromododecane
분자식
C12H25Br
분자량
249.23

이름 및 동의어

1-Bromododecane143-15-7Lauryl bromideDodecyl bromideDodecane, 1-bromo-DTXSID2044395DTXCID002439590T93TX09DNSC-6786RefChem:75159205-587-9n-Dodecyl bromide
이름 더 보기
1-브로모도데케인브롬화라우릴1-브로모도데칸1-DodecylbromideBROMODODECANLaurlybromideJACS-143-15-7Lauroylbromide1-Dodecylbromid1-bromo-dodecan
Dodecane, bromo-bromododecaneC12H25Br1-bromo dodecane1-bromo-dodecane1-BROMO-N-DODECANE1-dodecyl-bromideMFCD00000225

데이터베이스 식별자

CAS
143-15-7
PubChem CID
8919
DTXSID
DTXSID2044395
ChEMBL
CHEMBL3184907
UNII
90T93TX09D
EC Number
205-587-9
Nikkaji
J2.029J

물성

구조 계산 물성

XLogP
7.1
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
10
무거운 원자 수
13
형식 전하
0
복잡도
81.2

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesBoiling point
Density1.038 @25 °C
Physical Description · 2건

Liquid

Liquid; [Merck Index] Colorless liquid with a weak odor; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
11 · −11-−9 °C(lit.)
끓는 점
134 · 134-135 °C6 mm Hg(lit.)
밀도
1.04 g/mL · 1.040 g/mL at 20 °C
증기 밀도
8.6 · 8.6 (vs air)
굴절률
20 · n20/D 1.458(lit.)
인화점
230 °F · >230 °F
저장 조건
2 · Sealed in dry,2-8°C
용해도
알코올: 용해 가능
물리적 상태
액체
색상
투명한
수용성
불용성
Merck
14 · 14,5389

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 22.9% (58 of 253) of reports.

Danger

H304 (41.1%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 253 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: Dodecane, 1-bromo-

Dodecane, 1-bromo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Dodecane, 1-bromo- 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)

REACH registered substance: 1-bromododecane (EC: 205-587-9)

Dodecane, 1-bromo-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See 1-Bromopropane and 2-Bromopentane.
Hazard Classes and CategoriesAsp. Tox. 1 (41.1%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

독성 정보

화학 및 산업

용도 및 제조

U.S. Production2023: 250,000 - <550,000 lb
Consumer UsesAbrasives
Industry UsesAbrasives
General Manufacturing Information · 2건

Mining (except Oil and Gas) and support activities

Dodecane, 1-bromo-: ACTIVE

응용 분야 · 3건

용도1-Bromododecane is used as a solvent. It is used as an intermediate to manufacture surfactant, pharmaceuticals and other organic compounds.

용도1-Bromododecane have assumed considerable importance as starting materials for the production of many types of organic derivatives. The major use for 1-Bromododecane with 12 – 16 carbon atomsisinthe production of alkyldimethylamines by the nucleophilic displacement of bromide ion with dimethylamine. These amines are used as intermediates in the manufacture of fatty amine oxides and alkyl dimethyl benzyl quaternary ammonium salts, which are used in a wide range of products because of their biological (germicidal) or physical (cationic) properties. Minor amounts of 1-Bromododecane are used to produce insect pheromones, phasetransfer catalysts, and other useful specialty chemicals.

일반 설명1-Bromododecane is antimicrobial agent.

제조 방법 · 1건

1-Bromododecane is synthesized by the action of 1-dodecanol and hydrobromic acid. The 1-dodecanol is added to the enameled glass reaction pot, stirred and cooled, and sulfuric acid is slowly added. Stir for 1h, then add hydrobromic acid. The temperature is gradually increased to 90-95℃, and the reaction is stirred for 8h. After the reaction, the temperature is lowered to 30℃ and left for 8h. The acid layer is separated, and the oil layer is adjusted to pH 8 with dilute alkali solution, and the alkali solution is separated and washed with 50% ethanol. Distill under reduced pressure and collect 140-200℃ (3.33kPa) fractions to obtain refined 1-bromododecane.

관련 반응

192건
반응 기록 만들기
HRID 21436 반응식
HRID 21436반응물로uspto-grants-1995_06
HRID 21892 반응식
HRID 21892반응물로uspto-grants-1995_06
HRID 26229 반응식
HRID 26229반응물로uspto-grants-1979_04
HRID 34256 반응식
HRID 34256반응물로uspto-grants-1988_08
HRID 36316 반응식
HRID 36316반응물로uspto-grants-1995_05
HRID 61523 반응식
HRID 61523반응물로uspto-grants-2016_09
HRID 171530 반응식
HRID 171530반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 218786 반응식
HRID 218786반응물로uspto-grants-2012_06
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화합물 노트

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이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
BRN
506159 · 506159
Dielectric constant
4.07 · 4.0700000000000003
안정성
안정적인. 타기 쉬운. 강한 산화제, 강한 염기와 호환되지 않습니다.
InChI
1S/C12H25Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
InChIKey
PBLNBZIONSLZBU-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCBr
NIST
1 · Dodecane, 1-bromo-(143-15-7)
EPA
1 · Dodecane, 1-bromo- (143-15-7)

화학적 성질

Colorless to light yellow liquid. Insoluble in water, soluble in ethanol, ether and other organic solvents.

Adverse Effects
Neurotoxin - Acute solvent syndrome

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29033036
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36-24/25
F 고인화성물질
19
Hazard Classifications
Skin Irrit. 2
스토리지 클래스
10 - Combustible liquids

상·하류 제품 정보

상류 원료

라우릴알코올브롬화수소

하류 제품

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