기본 정보
- 표준 SMILES
CCCCCCCCCCCCCCCCCCBr- InChIKey
WSULSMOGMLRGKU-UHFFFAOYSA-N- 분자식
- C18H37Br
- 평균 분자량
- 333.4 g/mol
- 단동위원소 질량
- 332.20786328
개요
1-Bromooctadecane has been reported in Vernonanthura patens with data available.
이름 및 식별자
- 우선 이름
- 1-Bromooctadecane
- IUPAC
- 1-bromooctadecane
- 현지명
- 1-브로모옥타데칸
- 영어명
- 1-Bromooctadecane
- 분자식
- C18H37Br
- 분자량
- 333.39
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
112-89-0- PubChem CID
- 8218
- DTXSID
DTXSID8059423- UNII
- Z7M35JLL5U
- EC Number
- 204-013-4
- Nikkaji
- J379D
물성
구조 계산 물성
- XLogP
- 10.3
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 145
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 25 · 25-30 °C(lit.)
- 끓는 점
- 214 · 214-216 °C12 mm Hg(lit.)
- 밀도
- 0.976 g/mL · 0.976 g/mL at 25 °C(lit.)
- 굴절률
- 1.462 · 1.462-1.464
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Inert atmosphere,Room Temperature
- 물리적 상태
- 저융점 고체
- Specific Gravity
- 0.98 · 0.980 (20/4℃)
- 색상
- 노란색
- 수용성
- 불용성
- BRN
- 774145 · 774145
- Dielectric constant
- 3.5 · 3.5(30.0℃)
- InChI
- 1S/C18H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3
- InChIKey
- WSULSMOGMLRGKU-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCCCCCCCBr
- NIST
- 1 · Octadecane, 1-bromo-(112-89-0)
- EPA
- 1 · Octadecane, 1-bromo- (112-89-0)
화학적 성질
It is a colorless or light yellow liquid, soluble in ethanol, ether, ethyl acetate, and petroleum ether, but insoluble in water. It decomposes when exposed to light and is used in organic synthesis.
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.8% (1 of 127) of reports.
Warning
H315 (98.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 127 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Status: Active Update: 11-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20869
Octadecane, 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
- safety_code
- 22-24/25
- 기존화학 물질
- KE-03694
- Hazard Classifications
- Asp. Tox. 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
응용 분야
용도1-Bromooctadecane was used in the synthesis of shortened single-walled carbon nanotubes (s-SWCNTs). It is utilized to prepare octadecane in the presence of sodium borohydride as a catalyst. It is involved as a raw material for the preparation of dimethyldistearylammonium bromide, which is a bentonite modifier.
제조 방법
1-Bromooctadecane is synthesized by the reaction of stearyl alcohol with hydrogen bromide. The alcohol is heated to 100°C, dry hydrogen bromide is introduced, and the reaction temperature is maintained at 100-120°C until the solution no longer absorbs hydrogen bromide. The bromide is layered, the organic phase is washed with concentrated sulfuric acid, the bromide after the acid solution is separated and mixed with an equal volume of 90% methanol, washed with ammonia to make the bromide alkaline, then washed with 90% methanol, and anhydrous Dry calcium chloride. Finally, vacuum distillation, collecting 209-211 ℃ (1.33kPa) fraction is 1-bromooctadecane, and the yield is 90%.
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