1,6-디브로모헥산

1,6-Dibromohexane

HCID 12368CAS 629-03-8

기본 정보

표준 SMILES
BrCCCCCCBr
InChIKey
SGRHVVLXEBNBDV-UHFFFAOYSA-N
분자식
C6H12Br2
평균 분자량
243.97 g/mol
단동위원소 질량
241.93057458

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]DTXSID4044452NSC 7306EINECS 211-067-2BRN 1236322
이름 더 보기
1,6-디브로모헥산1,6-Dibromhexan6-Dibromohexane1,6-dibromo-hexan1,6-DibromotexaneHexane,1,6-dibromo-1,6-Dibromohexane,98%
Dibromo-1,6 hexaneAI3-11008Hexane, 1,6-dibromoNSC-73067L71Q7Y230DTXCID2024452UNII-7L71Q7Y230EC 211-067-2

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

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 · 2건

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

화학적 성질

colourless or pale yellow liquid. soluble in ethanol, ether, benzene and chloroform, insoluble in water. It is used in the synthesis of the hypotensive drug hexamethonium bromide.

안전 및 규제

GHS 분류

GHS Classification · 5건

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 · 4건

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)

Status: Active Update: 15-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5500

1,6-Dibromohexane: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1건

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) · 3건

6.0 [mg/m3]

66 [mg/m3]

400 [mg/m3]

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
MO1515000
ridadr
UN 2810 6.1/PG 3
독성
LD50 orally in Rabbit: 1800 mg/kg LD50 dermal Rabbit > 2000 mg/kg
HS 번호
29033036

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 · 2건

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.

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]
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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

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540건

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