1,6-디브로모헥산
1,6-Dibromohexane
기본 정보
- CAS
629-03-8- 표준 SMILES
BrCCCCCCBr- InChIKey
SGRHVVLXEBNBDV-UHFFFAOYSA-N- 분자식
- C6H12Br2
- 평균 분자량
- 243.97 g/mol
- 단동위원소 질량
- 241.93058
이름 및 식별자
- 우선 이름
- 1,6-Dibromohexane
- IUPAC
- 1,6-dibromohexane
- 현지명
- 1,6-디브로모헥산
- 영어명
- 1,6-Dibromohexane
- 분자식
- C6H12Br2
- 분자량
- 243.97
이름 및 동의어
1,6-Dibromohexane629-03-8Hexamethylene dibromide1,6-Dibromo-n-hexaneHEXANE, 1,6-DIBROMO-1,6-Dibromohexanalpha,omega-Dibromohexane1,6-Dibromohexan [German]Dibromo-1,6 hexaneDTXSID4044452NSC 7306EINECS 211-067-2
이름 더 보기
1,6-디브로모헥산1,6-Dibromhexan6-Dibromohexane1,6-dibromo-hexan1,6-DibromotexaneHexane,1,6-dibromo-1,6-Dibromohexane,98%
BRN 1236322AI3-11008Hexane, 1,6-dibromoNSC-73067L71Q7Y2304-01-00-00354 (Beilstein Handbook Reference)DTXCID2024452UNII-7L71Q7Y230
데이터베이스 식별자
- CAS
629-03-8- PubChem CID
- 12368
- DTXSID
DTXSID4044452- ChEMBL
CHEMBL3559826- UNII
- 7L71Q7Y230
- EC Number
- 211-067-2
- Nikkaji
- J68.586K
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 31.5
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesDensity
Density1.6025 @25 °C
Boiling Point245.5 °C @760 [mm Hg]
Melting Point-1.2 °C
Physical Description
Liquid
Clear brown liquid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- -2 · -2-2.5 °C (lit.)
- 끓는 점
- 243 °C · 243 °C (lit.)
- 밀도
- 1.586 g/mL · 1.586 g/mL at 25 °C (lit.)
- 증기압
- 1 hPa · <1 hPa (20 °C)
- 굴절률
- 20 · n20/D 1.507(lit.)
- 인화점
- 110 °C · 110 °C
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- soluble in Chloroform, Ethyl Acetate
- 물리적 상태
- 액체
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 40.9% (52 of 127) of reports.
Danger
H300 (39.4%): Fatal if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P272, P273, P280, P301+P316, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 127 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Hexane, 1,6-dibromo-
Hexane, 1,6-dibromo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexane, 1,6-dibromo- 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: 1,6-dibromohexane (EC: 211-067-2)
1,6-Dibromohexane: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A mild skin and eye irritant; Intraperitoneal LD50 (mouse) = 270 mg/kg; [RTECS] May cause skin sensitization; Harmful by ingestion; [ECHA REACH Registrations] A mild skin irritant; May cause skin sensitization; Highly toxic by ingestion; [Sigma-Aldrich MSDS] Search for (629-03-8[EC/RN Number]) AND (dermatitis OR allergic OR sensitizer OR sensitization): no results; [PubMed] See 1,3-Dibromopropane, 1,4-Dibromobutane, 1,5-Dibromopentane, and 1,8-Dibromooctane.
Hazard Classes and CategoriesAcute Tox. 2 (39.4%)
안전 및 보호
Protective Action Criteria (PAC)
화학 및 산업
용도 및 제조
UsesUsed to make fine chemicals; [ECHA REACH Registrations]
U.S. Production2023: 75,000 - <500,000 lb
Industry UsesProcessing aids not otherwise specified
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Hexane, 1,6-dibromo-: ACTIVE
응용 분야
용도1,6-Dibromohexane is used as a reagent in the synthesis of novel benzo[b]xanthone derivatives which have a potential antitumor activity. It is also used as a cross-linker for the cross-linking of glycuronans.
제조 방법
1,6-Dibromohexane is synthesized from hexanediol by bromination.
상·하류 제품 정보
상류 원료
관련 반응
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