기본 정보
- 표준 SMILES
CCCCCCCCCCCCCCCCBr- InChIKey
HNTGIJLWHDPAFN-UHFFFAOYSA-N- 분자식
- C16H33Br
- 평균 분자량
- 305.34 g/mol
- 단동위원소 질량
- 304.17656316
이름 및 식별자
- 우선 이름
- 1-Bromohexadecane
- IUPAC
- 1-bromohexadecane
- 현지명
- 1-브로모헥사데칸
- 영어명
- 1-Bromohexadecane
- 분자식
- C16H33Br
- 분자량
- 305.34
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
112-82-3- PubChem CID
- 8213
- DTXSID
DTXSID2049397- ChEMBL
CHEMBL3188886- UNII
- 76GJI7GVAM
- EC Number
- 204-008-7
- Nikkaji
- J378F
물성
구조 계산 물성
- XLogP
- 9.2
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 123
실험 및 물리화학적 성질
Physical Description
Liquid
Melting point = 18 deg C; [ChemIDplus] Colorless liquid; mp = 16-18 deg C; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 16 · 16-18 °C(lit.)
- 끓는 점
- 190 °C11 · 190 °C11 mm Hg(lit.)
- 밀도
- 0.999 g/mL · 0.999 g/mL at 25 °C(lit.)
- 증기 밀도
- 10.6 · 10.6 (vs air)
- 증기압
- 1 mm · <1 mm Hg ( 20 °C)
- 굴절률
- 20 · n20/D 1.4609(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 혼합하기가 어렵습니다.
- 물리적 상태
- 녹은 후에 액체
- Specific Gravity
- 1 · 1.000 (20/4℃)
- 색상
- 투명한 호박색에서 갈색-검정색까지
- 수용성
- 불용성
- BRN
- 773989 · 773989
- Dielectric constant
- 3.71 · 3.71
- 안정성
- 안정적인. 강한 산화제와 호환되지 않습니다. 타기 쉬운.
- InChI
- 1S/C16H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
- InChIKey
- HNTGIJLWHDPAFN-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCCCCCBr
- LogP
- 8.54 · 8.54
- NIST
- 1 · Hexadecane, 1-bromo-(112-82-3)
- EPA
- 1 · Hexadecane, 1-bromo- (112-82-3)
화학적 성질
colourless to yellow liquid or solid.soluble in ether, alcohol, insoluble in water.
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 77 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Hexadecane, 1-bromo-
Hexadecane, 1-bromo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexadecane, 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)
Status: Active Update: 10-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10277
Hexadecane, 1-bromo-: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29033036
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 기존화학 물질
- KE-03673
- Hazard Classifications
- Skin Irrit. 2
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
General Manufacturing Information
Not Known or Reasonably Ascertainable
Hexadecane, 1-bromo-: ACTIVE
응용 분야
용도1-Bromohexadecane has been used:in the preparation of soluble carbon nano-onions by covalent functionalization with hexadecyl chainsas extraction solvent in determination of endocrine-disrupting phenols (EDPs) in water samples by ultrasound-assisted emulsification microextraction (MS-USAEME) methodin the preparation of [2-(methacryloyloxy)ethyl]dimethylhexadecylammonium bromide monomer, required for the synthesis of novel methacrylate based adsorbentsin the synthesis of surfactant, N-hexadecyl ethylenediamine triacetic acid (HED3A)
용도1-Bromohexadecane is used in the preparation of soluble carbon nano-onions by covalent functionalization with hexadecyl chains. It is also used to synthesize [2-(methacryloyloxy)ethyl]dimethylhexadecylammonium bromide monomer, required for the synthesis of novel methacrylate based adsorbents.
제조 방법
Synthesis of 1-Bromohexadecane from hexadecanol by bromination: put hexadecanol into the reaction pot and stir, heat, melt and put in red phosphorus. Add bromine drop by drop at 100℃ with sufficient stirring on one side, control 120-130℃, about 6h drop by drop, continue the reaction and drain the hydrogen bromide. Cool to below 50 ℃, add saturated and sodium chloride, stirring and washing, resting stratification, parting off the lower waste stream, then wash with water to neutral, distillation, collect 220-230 ℃ (2kPa) fraction, to obtain 1-bromohexadecane.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
관련 반응
연결된 노트
불러오는 중…