1-Bromooctane (HCID 8140)

이름 및 식별자

우선 이름: 1-Bromooctane
IUPAC: 1-bromooctane
현지명: 브롬화옥틸
영어명: 1-Bromooctane
분자식: C8H17Br
분자량: 193.12

이름 및 동의어

1-Bromooctane111-83-1n-Octyl bromideOctyl bromide1-OctylbromideOctane, 1-bromo-1-Bromo-octanebromooctanen-octylbromide1-octyl bromideMFCD00000276DTXSID3021938

이름 더 보기

1-브로모옥테인브로모옥탄브롬화옥틸1-bromoctane1-BromoctanCaprylbromideOctoicbromide1-bromo-octan

Q382HPC6LC1-?Bromooctane(Octyl Bromide)NSC-9821Octane, bromo-1219803-37-88-bromooctane1-Bromo octaneNSC 9821

데이터베이스 식별자

CAS: 111-83-1
PubChem CID: 8140
DTXSID: DTXSID3021938
ChEMBL: CHEMBL156047
UNII: Q382HPC6LC
EC Number: 203-912-9
Nikkaji: J1.989E

물성

구조 계산 물성

XLogP: 4.9
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 6
무거운 원자 수: 9
형식 전하: 0
복잡도: 43

실험 및 물리화학적 성질

Density1.11 @25 °C

Boiling Point201.5 °C @760 [mm Hg]

Melting Point-55 °C

Vapor Pressure0.34 [mmHg]

Physical DescriptionColorless liquid; [Merck Index]

Kovats Retention Index · 3건

1138；1118；1119；1121；1122；1124；1126；1129；1130；1132；1133；1133；1132.5；1132

1136.2；1119；1142；1132

1368；1373；1351；1364；1365；1385

물리화학적 성질

녹는점: -55 °C · -55 °C
끓는 점: 201 °C · 201 °C (lit.)
밀도: 1.118 g/mL · 1.118 g/mL at 25 °C (lit.)
증기 밀도: 6.7 · 6.7 (vs air)
증기압: 0.34 mm · 0.34 mm Hg ( 25 °C)
굴절률: 20 · n20/D 1.452(lit.)
인화점: 173 °F · 173 °F
저장 조건: 30 °C · Store below +30°C.
용해도: 불용성
물리적 상태: 액체
색상: 투명한 무색~황갈색
수용성: 불용성
Merck: 14 · 14,6764
BRN: 1733136 · 1733136
Henry's Law Constant: 1.7 · 1.7×10-4 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Dielectric constant: 5 · 5.0(Ambient)
InChI: 1S/C8H17Br/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
InChIKey: VMKOFRJSULQZRM-UHFFFAOYSA-N
SMILES: CCCCCCCCBr
NIST: 1 · Octane, 1-bromo-(111-83-1)
EPA: 1 · Octane, 1-bromo- (111-83-1)

화학적 성질

clear colourless to yellow-brown liquid. insoluble in water, miscible with ethanol and ether.

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H400 (98.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (95.7%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 163 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 3건

Chemical: Octane, 1-bromo-

Status: Active Update: 15-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/17679

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

Hazards SummaryOral LD50 (rat) = 4,490 uL/kg; [RTECS] May cause irritation; [Sigma-Aldrich MSDS] See 1-Bromohexane.

Hazard Classes and CategoriesAquatic Acute 1 (98.8%)；Aquatic Chronic 1 (95.7%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

15 [mg/m3]

170 [mg/m3]

990 [mg/m3]

규제 정보

Regulatory Information · 3건

Chemical: Octane, 1-bromo-

Status: Active Update: 15-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/17679

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

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: RG8575000
ridadr: UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
독성: LD50 orally in rats: 4.49 ml/kg (Smyth)
HS 번호: 29033036
risk_code: 36/37/38-50/53
hazard_code: N
safety_code: 23-24/25-61-60
포장분류: III
위험 등급: 9
기존화학 물질: KE-03695
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

UsesUsed in organic syntheses; [Merck Index]

General Manufacturing InformationOctane, 1-bromo-: ACTIVE

응용 분야 · 1건

용도1-Bromooctane is used in organic synthesis. It is also used as an extraction solvent in the determination of volatile organic compounds present in water samples. Further, it is used in the preparation of quaternary ammonium chloride-modified poly(propylenimine) dendrimers.

제조 방법 · 1건

1-Bromooctane is prepared by reacting octanol with hydrobromic acid. After the sodium bromide was completely dissolved with sulfuric acid, n-octanol was added, heated to reflux for 7-8 hours, cooled and diluted with water, the organic phase was separated, washed with water, concentrated sulfuric acid, water, and 10% sodium carbonate solution in turn, and washed with anhydrous sulfuric acid. Sodium dry. Distillation of 196-200°C, or 91-93°C (2.93kPa) fraction, is the finished product of 1-bromooctane. The yield is over 90%.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

常州市信友物资有限公司0519-88861658 15351933796 · [email protected]

연결된 노트

불러오는 중…

브롬화옥틸

기본 정보